N-[(2S)-1-({2-[5-Chloro-2-(1H-Tetrazol-1-Yl)Phenyl]Ethyl}Amino)-1-Oxo-3-Phenyl-2-Propanyl]-3-Oxo-3,4-Dihydro-2H-1,4-Benzothiazine-7-Carboxamide

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Properties Simple | Detailed

Formula C27H24ClN7O3S
IUPAC Name n-[(2s)-1-[2-[5-chloro-2-(tetrazol-1-yl)phenyl]ethylamino]-1-oxo-3-phenylpropan-2-yl]-3-oxo-4h-1,4-benzothiazine-7-carboxamide
Molecular Mass 562.043 g·mol−1
Heat of Formation 44.1 ± 16.7 kJ·mol−1
Dipole Moment 6.92 ± 1.08 D
Volume 632.7 Å 3
Surface Area 530.37 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy -1.67 ± eV
Point Group Symmetry C1
InChIKey IAXDWTLDVZYTHX-QFIPXVFZSA-N
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