Geometry & MOs

Info

ID:	6651
PubChem CID:	69382
Reduced:	NSO2C4H8 (2)
Stoich.:	ABC2D4E8 (2)
Weight, g/mol:	268.055149
ΔH_f, kcal/mol:	-186.91
Dipole, Da:	8.68
IP(EA), eV:	-9.26(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-[[(3S)-3-amino-3-carboxypropyl]disulfanyl]butanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations