Geometry & MOs

Info

ID:	15366
PubChem CID:	439750
Reduced:	NSO3C6H11 (1)
Stoich.:	ABC3D6E11 (1)
Weight, g/mol:	177.045964
ΔH_f, kcal/mol:	-134.35
Dipole, Da:	4.26
IP(EA), eV:	-9.12(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-formamido-4-methylsulfanylbutanoic acid

Drug info:

PubChemData

Smile

CSCC[C@@H](C(=O)O)NC=O

DOS

IR

Vibrations