Geometry & MOs

Info

ID:	437798
PubChem CID:	135227084
Reduced:	SF2N3O3H19C22 (1)
Stoich.:	AB2C3D3E19F22 (1)
Weight, g/mol:	412.105705
ΔH_f, kcal/mol:	-102.61
Dipole, Da:	5.43
IP(EA), eV:	-8.38(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(2,4-difluorophenoxy)-5-(methylsulfanylmethyl)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations