Geometry & MOs

Info

ID:	208721
PubChem CID:	80571259
Reduced:	SN2O2C12H20 (1)
Stoich.:	AB2C2D12E20 (1)
Weight, g/mol:	238.052447
ΔH_f, kcal/mol:	-83.42
Dipole, Da:	5.26
IP(EA), eV:	-8.56(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1-ethylpyrazol-4-yl)amino]-1,3-thiazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)CN(C1=NC=C(S1)C(=O)OC)C(C)C

DOS

IR

Vibrations