Geometry & MOs

Info

ID:	16454
PubChem CID:	469520
Reduced:	NSO7H23C25 (1)
Stoich.:	ABC7D23E25 (1)
Weight, g/mol:	481.119523
ΔH_f, kcal/mol:	-198.44
Dipole, Da:	8.77
IP(EA), eV:	-9.04(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[2-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyloxy-4-oxoazetidin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OC2C(N(C2=O)C3=CC=C(C=C3)C(=O)OC)C4=CC=C(C=C4)OC

DOS

IR

Vibrations