Geometry & MOs

Info

ID:	57910
PubChem CID:	24278458
Reduced:	SN2O2H8C9 (1)
Stoich.:	AB2C2D8E9 (1)
Weight, g/mol:	237.057198
ΔH_f, kcal/mol:	-19.53
Dipole, Da:	4.69
IP(EA), eV:	-8.52(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(S/C(=C/2\C=CC=N2)/N1)C(=O)O

DOS

IR

Vibrations