Geometry & MOs

Info

ID:	372971
PubChem CID:	131307719
Reduced:	ClNOI2F3H3C7 (1)
Stoich.:	ABCD2E3F3G7 (1)
Weight, g/mol:	226.041213
ΔH_f, kcal/mol:	-137.94
Dipole, Da:	2.52
IP(EA), eV:	-10.17(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 7-oxo-2,4-dihydrothiopyrano[4,3-c]pyrazole-3-carboxylate

Drug info:

PubChemData

Smile

C1=C(C(=C(N=C1I)CCl)OC(F)(F)F)I

DOS

IR

Vibrations