Geometry & MOs

Info

ID:	405301
PubChem CID:	135073450
Reduced:	NSO2C21H21 (1)
Stoich.:	ABC2D21E21 (1)
Weight, g/mol:	411.114044
ΔH_f, kcal/mol:	-32.37
Dipole, Da:	4.94
IP(EA), eV:	-8.65(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(4-methoxyphenyl)-4-[(4-methylphenyl)sulfonylamino]benzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C(C=CC(=C2)C)NS(=O)(=O)C3=CC=C(C=C3)C

DOS

IR

Vibrations