Geometry & MOs

Info

ID:	208080
PubChem CID:	80492689
Reduced:	ISN4C11H13 (1)
Stoich.:	ABC4D11E13 (1)
Weight, g/mol:	288.00272
ΔH_f, kcal/mol:	84.19
Dipole, Da:	3.43
IP(EA), eV:	-9.0(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(1,3-thiazol-4-yl)-1,3-thiazol-4-yl]benzoic acid

Drug info:

PubChemData

Smile

CC(C)C1=C(C(=NC(=N1)C2=CSC=N2)NC)I

DOS

IR

Vibrations