5-[(3-Chloro-5,5-Dihydroxy-6-Methyl-6,11-Dihydro-5H-5Lambda~4~-Dibenzo[C,F][1,2]Thiazepin-11-Yl)Amino]Pentanoic Acid

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Properties Simple | Detailed

Formula C19H21ClN2O4S
IUPAC Name 5-[[(6r,11r)-3-chloro-6-methyl-5,5-dioxo-11h-benzo[c][1,2]benzothiazepin-11-yl]amino]pentanoic acid
Molecular Mass 408.899 g·mol−1
Heat of Formation -561.1 ± 16.7 kJ·mol−1
Dipole Moment 3.77 ± 1.08 D
Volume 458.02 Å 3
Surface Area 381.42 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy -1.04 ± eV
Point Group Symmetry C1
InChIKey YYUMTPUPRWXCTH-LJQANCHMSA-N
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