Formula |
C27H24ClN7O3S |
IUPAC Name |
n-[(1s)-1-benzyl-2-[2-[5-chloro-2-(tetrazol-1-yl)phenyl]ethylamino]-2-oxo-ethyl]-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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Links |
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Elements |
C
Cl
H
O
N
S
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