Geometry & MOs

Info

ID:	55325
PubChem CID:	17390054
Reduced:	NSO2H11C12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	233.05105
ΔH_f, kcal/mol:	-37.62
Dipole, Da:	5.33
IP(EA), eV:	-9.23(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C2=CSC(=N2)C(=O)O

DOS

IR

Vibrations