2-Amino-N-[3,3-Dimethyl-7-Oxo-2-(2H-Tetrazol-5-Yl)-4-Thia-1-Azabicyclo[3.2.0]Hept-6-Yl]-2-(4-Hydroxyphenyl)Acetamide

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Properties Simple | Detailed

Formula C16H19N7O3S
IUPAC Name 2-amino-n-[(2s,5r,6r)-3,3-dimethyl-7-oxo-2-(2h-tetrazol-5-yl)-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]-2-(4-hydroxyphenyl)acetamide
Molecular Mass 389.432 g·mol−1
Heat of Formation 2.2 ± 16.7 kJ·mol−1
Dipole Moment 5.80 ± 1.08 D
Volume 440.55 Å 3
Surface Area 342.67 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy -0.64 ± eV
Point Group Symmetry C1
InChIKey XLCUJQQFWDZWIT-YYHMBLRTSA-N
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