Geometry & MOs

Info

ID:	53016
PubChem CID:	14709402
Reduced:	ON2S2C5H6 (1)
Stoich.:	AB2C2D5E6 (1)
Weight, g/mol:	231.997634
ΔH_f, kcal/mol:	-5.33
Dipole, Da:	2.78
IP(EA), eV:	-8.96(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-1-amino-2-(4-oxo-1,3-thiazol-2-yl)ethenyl]sulfanylacetic acid

Drug info:

PubChemData

Smile

C1C(=O)N=C(S1)CC(=S)N

DOS

IR

Vibrations