Geometry & MOs

Info

ID:	55289
PubChem CID:	17390011
Reduced:	NSO2H9C11 (1)
Stoich.:	ABC2D9E11 (1)
Weight, g/mol:	263.061614
ΔH_f, kcal/mol:	-28.92
Dipole, Da:	5.19
IP(EA), eV:	-9.36(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations