N-(6-{4-[(4'-Chloro-2-Biphenylyl)Methyl]-1-Piperazinyl}-1,1-Dioxido-1,2-Benzothiazol-3-Yl)-4-{[(2R)-4-(Dimethylamino)-1-(Phenylsulfanyl)-2-Butanyl]Amino}-3-Nitrobenzenesulfonamide
Properties
Property | Value |
---|---|
Formula | C42H44ClN7O6S3 |
IUPAC Name | n-[6-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-1,1-dioxo-1,2-benzothiazol-3-yl]-4-[[3-(dimethylamino)-1-(phenylsulfanylmethyl)propyl]amino]-3-nitro-benzenesulfonamide |
Molecular Mass | 874.490 g·mol−1 |
Heat of Formation | -96.0 ± 16.7 kJ·mol−1 |
Dipole Moment | 7.11 ± 1.08 D |
Volume | 969.79 Å 3 |
Surface Area | 747.32 Å 2 |
HOMO Energy | -8.61 ± 0.55 eV |
LUMO Energy | -1.31 ± eV |
Point Group Symmetry | C1 |
InChIKey | IXACTXFUQMBZJI-MGBGTMOVSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C Cl H O N S |