Geometry & MOs

Info

ID:	53015
PubChem CID:	14709401
Reduced:	O4C11H13 (2)
Stoich.:	A4B11C13 (2)
Weight, g/mol:	173.992155
ΔH_f, kcal/mol:	-287.55
Dipole, Da:	2.5
IP(EA), eV:	-8.33(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-oxo-1,3-thiazol-2-yl)ethanethioamide

Drug info:

PubChemData

Smile

CC(=O)OC(C1=CC(=C(C=C1)OC)OC)C(C2=CC(=C(C=C2)OC)OC)OC(=O)C

DOS

IR

Vibrations