Geometry & MOs

Info

ID:	55324
PubChem CID:	17390052
Reduced:	ClNO2H10C12 (1)
Stoich.:	ABC2D10E12 (1)
Weight, g/mol:	233.05105
ΔH_f, kcal/mol:	-46.81
Dipole, Da:	3.97
IP(EA), eV:	-9.45(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,5-dimethylphenyl)-1,3-thiazole-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2C=CC=C2C(=O)O)Cl

DOS

IR

Vibrations