Geometry & MOs

Info

ID:	437699
PubChem CID:	135226864
Reduced:	ClFNOSC9H11 (1)
Stoich.:	ABCDEF9G11 (1)
Weight, g/mol:	316.104563
ΔH_f, kcal/mol:	-55.4
Dipole, Da:	2.95
IP(EA), eV:	-9.48(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-fluoro-5-propan-2-ylsulfanylphenyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations