Geometry & MOs

Info

ID:	55288
PubChem CID:	17390010
Reduced:	ClNSO2H6C10 (1)
Stoich.:	ABCD2E6F10 (1)
Weight, g/mol:	219.0354
ΔH_f, kcal/mol:	-28.46
Dipole, Da:	5.25
IP(EA), eV:	-9.65(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-methylphenyl)-1,3-thiazole-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)C2=CSC(=N2)C(=O)O

DOS

IR

Vibrations