Geometry & MOs

Info

ID:	46559
PubChem CID:	10525219
Reduced:	N3O5C21H29 (1)
Stoich.:	A3B5C21D29 (1)
Weight, g/mol:	403.077282
ΔH_f, kcal/mol:	-214.21
Dipole, Da:	4.18
IP(EA), eV:	-9.12(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R)-7-amino-3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)C1=CN(CCN1C(=O)OC(C)(C)C)C(=O)OC2=CC=CC=C2

DOS

IR

Vibrations