Geometry & MOs

Info

ID:	373914
PubChem CID:	131321261
Reduced:	N2O2F3C9H9 (1)
Stoich.:	A2B2C3D9E9 (1)
Weight, g/mol:	250.982319
ΔH_f, kcal/mol:	-192.95
Dipole, Da:	8.0
IP(EA), eV:	-10.89(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-thiazol-4-yl)-2H-pyrrolo[3,2-d][1,2]thiazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CC(=C)CN1C=C(C(=N1)C(F)(F)F)C(=O)O

DOS

IR

Vibrations