Geometry & MOs

Info

ID:	124714
PubChem CID:	50893625
Reduced:	NSO4C18H21 (1)
Stoich.:	ABC4D18E21 (1)
Weight, g/mol:	361.134779
ΔH_f, kcal/mol:	-131.44
Dipole, Da:	5.99
IP(EA), eV:	-9.51(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[N-(benzenesulfonyl)-2-propan-2-ylanilino]butanoic acid

Drug info:

PubChemData

Smile

CC(C)C1=CC=CC=C1N(CCC(=O)O)S(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations