Geometry & MOs

Info

ID:	312479
PubChem CID:	126605660
Reduced:	IF2N2H5C7 (1)
Stoich.:	AB2C2D5E7 (1)
Weight, g/mol:	422.113665
ΔH_f, kcal/mol:	-36.88
Dipole, Da:	3.53
IP(EA), eV:	-9.44(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2,4-difluoro-6-(methylamino)benzenecarboximidoyl]-7-(propan-2-ylcarbamoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1N)C(=N)I)F)F

DOS

IR

Vibrations