Geometry & MOs

Info

ID:	149518
PubChem CID:	53789191
Reduced:	SO6C22H22 (1)
Stoich.:	AB6C22D22 (1)
Weight, g/mol:	455.115107
ΔH_f, kcal/mol:	-199.54
Dipole, Da:	7.31
IP(EA), eV:	-9.67(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (5S,6R)-6-[(2-formamido-2-phenoxyacetyl)amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Drug info:

PubChemData

Smile

CCC(=O)C1C(=O)CC(CC1=O)C2=CC(=CC=C2)OC3=CC=C(C=C3)S(=O)(=O)C

DOS

IR

Vibrations