Geometry & MOs

Info

ID:	151274
PubChem CID:	53790974
Reduced:	OCl2N2C9H10 (1)
Stoich.:	AB2C2D9E10 (1)
Weight, g/mol:	469.163771
ΔH_f, kcal/mol:	-22.11
Dipole, Da:	3.87
IP(EA), eV:	-9.89(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3R,4R)-3-[(2-nitroso-2-phenylacetyl)amino]-2-oxo-4-(2-phenylethenyl)azetidin-1-yl]-2-phenylacetic acid

Drug info:

PubChemData

Smile

CCC(=O)N(C1=C(C=CC=C1Cl)Cl)N

DOS

IR

Vibrations