Geometry & MOs

Info

ID:	437771
PubChem CID:	135227000
Reduced:	SF2N2O2H20C27 (1)
Stoich.:	AB2C2D2E20F27 (1)
Weight, g/mol:	505.127169
ΔH_f, kcal/mol:	-62.75
Dipole, Da:	3.69
IP(EA), eV:	-8.41(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SC2=CC(=C(C=C2)OC3=C(C=C(C=C3)F)F)C4=CN(C(=O)C5=C4C=CN5)C

DOS

IR

Vibrations