7-{[(11R)-3-Chloro-6-Methyl-5,5-Dioxido-6,11-Dihydrodibenzo[C,F][1,2]Thiazepin-11-Yl]Amino}Heptanoic Acid

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Properties Simple | Detailed

Formula C21H25ClN2O4S
IUPAC Name 7-[[(6r,11r)-3-chloro-6-methyl-5,5-dioxo-11h-benzo[c][1,2]benzothiazepin-11-yl]amino]heptanoic acid
Molecular Mass 436.952 g·mol−1
Heat of Formation -583.6 ± 16.7 kJ·mol−1
Dipole Moment 4.86 ± 1.08 D
Volume 502.47 Å 3
Surface Area 419.81 Å 2
HOMO Energy -8.57 ± 0.55 eV
LUMO Energy -0.89 ± eV
Point Group Symmetry C1
InChIKey JICJBGPOMZQUBB-OAQYLSRUSA-N
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Elements C Cl H O N S