Geometry & MOs

Info

ID:	180469
PubChem CID:	76637734
Reduced:	OSF3N4H7C12 (1)
Stoich.:	ABC3D4E7F12 (1)
Weight, g/mol:	269.037131
ΔH_f, kcal/mol:	-114.55
Dipole, Da:	6.4
IP(EA), eV:	-9.18(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile

Drug info:

PubChemData

Smile

C1=C(C=NC2=C1C(=CN2)C=C3C(=O)NC(=S)N3)C(F)(F)F

DOS

IR

Vibrations