Geometry & MOs

Info

ID:	213921
PubChem CID:	81065552
Reduced:	NSO4C15H21 (1)
Stoich.:	ABC4D15E21 (1)
Weight, g/mol:	317.093309
ΔH_f, kcal/mol:	-172.06
Dipole, Da:	8.59
IP(EA), eV:	-9.75(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3,4-dimethoxyphenyl)sulfonylamino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNS(=O)(=O)C1=CC2=C(CCCC2)C=C1

DOS

IR

Vibrations