Geometry & MOs

Info

ID:	437843
PubChem CID:	135227129
Reduced:	BrFNSO2C9H9 (1)
Stoich.:	ABCDE2F9G9 (1)
Weight, g/mol:	444.168306
ΔH_f, kcal/mol:	-48.56
Dipole, Da:	0.8
IP(EA), eV:	-9.79(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-cyclobutylsulfanyl-2-(4,4-difluorocyclohexyl)oxyphenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one

Drug info:

PubChemData

Smile

C1C(CO1)S(=N)(=O)C2=CC(=C(C=C2)F)Br

DOS

IR

Vibrations