Geometry & MOs

Info

ID:	176827
PubChem CID:	76102785
Reduced:	ClON4C17H21 (1)
Stoich.:	ABC4D17E21 (1)
Weight, g/mol:	857.138287
ΔH_f, kcal/mol:	2.85
Dipole, Da:	2.57
IP(EA), eV:	-9.18(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzhydryl 2-[2-(4-methylphenyl)sulfonylsulfanyl-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]-3-(4-nitrophenyl)sulfonyloxybut-2-enoate

Drug info:

PubChemData

Smile

CC(C)CN1C(CC(=O)N2C1=NCC2)N=CC3=CC=C(C=C3)Cl

DOS

IR

Vibrations