Geometry & MOs

Info

ID:	13517
PubChem CID:	240083
Reduced:	NSO4C13H19 (1)
Stoich.:	ABC4D13E19 (1)
Weight, g/mol:	285.103479
ΔH_f, kcal/mol:	-168.69
Dipole, Da:	8.5
IP(EA), eV:	-9.89(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC(CC(C)C)C(=O)O

DOS

IR

Vibrations