Geometry & MOs

Info

ID:	237
PubChem CID:	2382
Reduced:	NSO4H19C21 (1)
Stoich.:	ABC4D19E21 (1)
Weight, g/mol:	381.103479
ΔH_f, kcal/mol:	-95.52
Dipole, Da:	4.45
IP(EA), eV:	-9.48(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(N-(4-methylphenyl)sulfonyl-2-phenylanilino)acetic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)O)C2=CC=CC=C2C3=CC=CC=C3

DOS

IR

Vibrations