Geometry & MOs

Info

ID:	437777
PubChem CID:	135227006
Reduced:	SN2O3C23H28 (1)
Stoich.:	AB2C3D23E28 (1)
Weight, g/mol:	425.120941
ΔH_f, kcal/mol:	-104.47
Dipole, Da:	2.76
IP(EA), eV:	-8.38(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)SC1=CC(=C(C=C1)OC2CCC(CC2)O)C3=CN(C(=O)C4=C3C=CN4)C

DOS

IR

Vibrations