Geometry & MOs

Info

ID:	9065
PubChem CID:	85744
Reduced:	SN2O3C8H16 (1)
Stoich.:	AB2C3D8E16 (1)
Weight, g/mol:	220.088164
ΔH_f, kcal/mol:	-145.78
Dipole, Da:	8.47
IP(EA), eV:	-8.82(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methylsulfanylbutanoic acid

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N[C@@H](CCSC)C(=O)O)N

DOS

IR

Vibrations