Geometry & MOs

Info

ID:	437817
PubChem CID:	135227103
Reduced:	SF3N3O4H18C22 (1)
Stoich.:	AB3C3D4E18F22 (1)
Weight, g/mol:	392.167083
ΔH_f, kcal/mol:	-208.07
Dipole, Da:	2.3
IP(EA), eV:	-8.59(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C2=C(C1=O)NC=C2)C3=C(C=CC(=C3)S(=N)(=O)C)OC4=CC=C(C=C4)OC(F)(F)F

DOS

IR

Vibrations