Geometry & MOs

Info

ID:	282442
PubChem CID:	103927067
Reduced:	SN2O4C14H18 (1)
Stoich.:	AB2C4D14E18 (1)
Weight, g/mol:	313.134779
ΔH_f, kcal/mol:	-128.85
Dipole, Da:	6.0
IP(EA), eV:	-10.24(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-3,3-dimethyl-2-[(4-propylphenyl)sulfonylamino]butanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)[C@H](C(=O)O)NS(=O)(=O)CC1=CC(=CC=C1)C#N

DOS

IR

Vibrations