Geometry & MOs

Info

ID:	27156
PubChem CID:	816757
Reduced:	NSO2C10H11 (1)
Stoich.:	ABC2D10E11 (1)
Weight, g/mol:	209.05105
ΔH_f, kcal/mol:	-33.06
Dipole, Da:	8.91
IP(EA), eV:	-10.48(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(benzenecarbonothioylamino)propanoic acid

Drug info:

PubChemData

Smile

CC(C)(C#N)S(=O)(=O)C1=CC=CC=C1

DOS

IR

Vibrations