Geometry & MOs

Info

ID:	437770
PubChem CID:	135226999
Reduced:	ClFOSC9H10 (1)
Stoich.:	ABCDE9F10 (1)
Weight, g/mol:	474.121355
ΔH_f, kcal/mol:	-69.98
Dipole, Da:	3.68
IP(EA), eV:	-8.65(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)S(=O)C1=CC(=C(C=C1)F)Cl

DOS

IR

Vibrations