Geometry & MOs

Info

ID:	266543
PubChem CID:	103570065
Reduced:	SO2N3C9H9 (1)
Stoich.:	AB2C3D9E9 (1)
Weight, g/mol:	279.104148
ΔH_f, kcal/mol:	-12.48
Dipole, Da:	8.87
IP(EA), eV:	-9.58(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-2-(1-ethylpyrazol-4-yl)-1,3-thiazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C2=NC=C(S2)C(=O)O

DOS

IR

Vibrations