| Formula |
C28H29N5O2S |
| IUPAC Name |
n-benzyl-n-[2-[4-cyano-n-[(3-methylimidazol-4-yl)methyl]anilino]ethyl]-2-methyl-benzenesulfonamide |
| Molecular Mass |
499.627 g·mol−1 |
| Heat of Formation |
182.7 ± 16.7 kJ·mol−1 |
| Dipole Moment |
12.49 ± 1.08 D |
| Volume |
604.13 Å 3 |
| Surface Area |
477.79 Å 2 |
| HOMO Energy |
-8.57 ± 0.55 eV |
| LUMO Energy |
2.31 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
OERKOZXSGCATSB-UHFFFAOYSA-N |
| QR Code |
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| Links |
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| DOI |
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| Downloads |
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|
| Elements |
H
C
S
O
N
|
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