| Formula |
C43H45ClN8O4S2 |
| IUPAC Name |
n-[7-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]quinazoline-1,3-diium-4a-id-4-yl]-4-[[(1r)-3-(dimethylamino)-1-(phenylsulfanylmethyl)propyl]amino]-3-nitro-benzenesulfonamide |
| Molecular Mass |
837.452 g·mol−1 |
| Heat of Formation |
159.2 ± 16.7 kJ·mol−1 |
| Dipole Moment |
9.84 ± 1.08 D |
| Volume |
967.0 Å 3 |
| Surface Area |
664.9 Å 2 |
| HOMO Energy |
-8.59 ± 0.55 eV |
| LUMO Energy |
-0.98 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
UBQQZOMCUVRMHH-UUWRZZSWSA-N |
| QR Code |
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| DOI |
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| Downloads |
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|
| Elements |
C
Cl
H
O
N
S
|
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