Geometry & MOs

Info

ID:	11371
PubChem CID:	114812
Reduced:	SN2O3C8H12 (1)
Stoich.:	AB2C3D8E12 (1)
Weight, g/mol:	216.056863
ΔH_f, kcal/mol:	-112.39
Dipole, Da:	4.29
IP(EA), eV:	-9.43(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-acetamido-3-(2-cyanoethylsulfanyl)propanoic acid

Drug info:

PubChemData

Smile

CC(=O)N[C@@H](CSCCC#N)C(=O)O

DOS

IR

Vibrations