Geometry & MOs

Info

ID:	185729
PubChem CID:	77340812
Reduced:	O3N4C7H8 (1)
Stoich.:	A3B4C7D8 (1)
Weight, g/mol:	681.250872
ΔH_f, kcal/mol:	-82.89
Dipole, Da:	3.72
IP(EA), eV:	-10.55(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzhydryl 3-[2-(3-methoxyphenyl)-1-(2-oxopyrrolidin-3-ylidene)ethyl]-7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CC(=O)N1C=NC2C1NC(=O)NC2=O

DOS

IR

Vibrations