Table 2 Charges (Mulliken charges) for the ATC
Atom | Charge | Atom | Charge | Atom | Charge | Atom | Charge |
|---|---|---|---|---|---|---|---|
O(1) | −0.2442 | C(8) | −0.1049 | C(15) | −0.0994 | H(22) | 0.0689 |
C(2) | 0.3942 | C(9) | −0.0009 | N(16) | −0.1540 | H(23) | 0.0680 |
O(3) | −0.3089 | C(10) | −0.0871 | N(17) | −0.0458 | H(24) | 0.0876 |
C(4) | −0.2699 | C(11) | 0.1634 | C(18) | −0.2814 | H(25) | 0.0382 |
C(5) | 0.2471 | O(12) | −0.2770 | N(19) | −0.2055 | H(26) | 0.0115 |
C(6) | −0.1560 | C(13) | 0.2660 | H(20) | 0.0977 | H(27) | 0.1429 |
C(7) | 0.0340 | S(14) | 0.3809 | H(21) | 0.0738 | H(28) | 0.1606 |