Geometry & MOs

Info

ID:	15692
PubChem CID:	447399
Reduced:	NS2O4C7H11 (1)
Stoich.:	AB2C4D7E11 (1)
Weight, g/mol:	237.01295
ΔH_f, kcal/mol:	-174.61
Dipole, Da:	4.99
IP(EA), eV:	-9.74(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-4-oxo-5-sulfanyl-3-[(2-sulfanylacetyl)amino]pentanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations