1-[(3S)-5-Phenyl-3-(2-Thienyl)-3H-1,4-Benzodiazepin-2-Yl]-3-Azetidinol

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Properties Simple | Detailed

Formula C22H19N3OS
IUPAC Name 1-[(3s)-5-phenyl-3-(2-thienyl)-3h-1,4-benzodiazepin-2-yl]azetidin-3-ol
Molecular Mass 373.471 g·mol−1
Heat of Formation 404.0 ± 16.7 kJ·mol−1
Dipole Moment 1.34 ± 1.08 D
Volume 438.53 Å 3
Surface Area 358.8 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy 2.58 ± eV
Point Group Symmetry C1
InChIKey BKSGACYTXOQQNI-OAQYLSRUSA-N
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