Geometry & MOs

Info

ID:	437728
PubChem CID:	135226957
Reduced:	BrClFOSC9H9 (1)
Stoich.:	ABCDEF9G9 (1)
Weight, g/mol:	547.11543
ΔH_f, kcal/mol:	-66.24
Dipole, Da:	1.75
IP(EA), eV:	-8.97(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-cyclopropylsulfanyl-2-[(4-methylcyclohexyl)amino]phenyl]-1-iodo-2,6-dimethylpyrrolo[2,3-c]pyridin-7-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations