| Formula |
C42H42N6O5S2++ |
| IUPAC Name |
n-[4-[[(2r)-4-(dimethylamino)-1-phenylsulfanylbutan-2-yl]amino]-3-nitrophenyl]sulfonyl-4-[4-[(3-phenylphenyl)methyl]piperazin-1-yl]benzamide |
| Molecular Mass |
780.998 g·mol−1 |
| Heat of Formation |
295.0 ± 16.7 kJ·mol−1 |
| Dipole Moment |
3.43 ± 1.08 D |
| Volume |
969.27 Å 3 |
| Surface Area |
764.34 Å 2 |
| HOMO Energy |
-8.03 ± 0.55 eV |
| LUMO Energy |
-1.00 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
YVZYKXDSCCZVEP-PSXMRANNSA-N |
| QR Code |
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| Links |
PubChem
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|
| DOI |
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| Downloads |
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|
| Elements |
H
C
S
O
N
|
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