Geometry & MOs

Info

ID:	13298
PubChem CID:	225082
Reduced:	SN2O2C5H8 (1)
Stoich.:	AB2C2D5E8 (1)
Weight, g/mol:	160.030649
ΔH_f, kcal/mol:	-60.4
Dipole, Da:	4.82
IP(EA), eV:	-9.86(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-(cyanomethylsulfanyl)propanoic acid

Drug info:

PubChemData

Smile

C(C#N)SCC(C(=O)O)N

DOS

IR

Vibrations