Geometry & MOs

Info

ID:	214041
PubChem CID:	81065894
Reduced:	SN2O4C14H16 (1)
Stoich.:	AB2C4D14E16 (1)
Weight, g/mol:	317.093309
ΔH_f, kcal/mol:	-121.82
Dipole, Da:	7.35
IP(EA), eV:	-9.9(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2,4-dimethoxyphenyl)sulfonylamino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNS(=O)(=O)C1=CC=CC2=C1C=CN=C2

DOS

IR

Vibrations