Geometry & MOs

Info

ID:	437856
PubChem CID:	135227195
Reduced:	SF2O3N4C24H26 (1)
Stoich.:	AB2C3D4E24F26 (1)
Weight, g/mol:	457.163555
ΔH_f, kcal/mol:	-141.51
Dipole, Da:	0.41
IP(EA), eV:	-8.6(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C#N)S(=N)(=O)C1=CC(=C(C=C1)OC2CCC(CC2)(F)F)C3=CN(C(=O)C4=C3C=CN4)C

DOS

IR

Vibrations