Geometry & MOs

Info

ID:	223381
PubChem CID:	85334942
Reduced:	O2H8C9 (2)
Stoich.:	A2B8C9 (2)
Weight, g/mol:	296.002241
ΔH_f, kcal/mol:	-91.29
Dipole, Da:	3.94
IP(EA), eV:	-8.85(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[2-(2-chloroanilino)-4-oxo-1,3-thiazol-5-ylidene]acetate

Drug info:

PubChemData

Smile

CC1=C(C2=C(C1=CC3=COC=C3)C=CC(=C2)OC)CC(=O)O

DOS

IR

Vibrations