Geometry & MOs

Info

ID:	373561
PubChem CID:	131317202
Reduced:	FNH2O2C4 (2)
Stoich.:	ABC2D2E4 (2)
Weight, g/mol:	254.01837
ΔH_f, kcal/mol:	-128.09
Dipole, Da:	4.63
IP(EA), eV:	-10.29(-2.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyclopropyl-7-methylsulfanylimidazo[5,1-b][1,3]thiazole-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1[N+](=O)[O-])OC(F)F)O)C#N

DOS

IR

Vibrations