Geometry & MOs

Info

ID:	437775
PubChem CID:	135227004
Reduced:	SF2O3N4C24H24 (1)
Stoich.:	AB2C3D4E24F24 (1)
Weight, g/mol:	455.147904
ΔH_f, kcal/mol:	-110.35
Dipole, Da:	5.22
IP(EA), eV:	-8.39(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4,4-difluorocyclohexyl)oxy-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]sulfanylcyclopropane-1-carbonitrile

Drug info:

PubChemData

Smile

CN1C=C(C2=C(C1=O)NC=C2)C3=C(C=CC(=C3)S(=N)(=O)C4(CC4)C#N)OC5CCC(CC5)(F)F

DOS

IR

Vibrations