Geometry & MOs

Info

ID:	437735
PubChem CID:	135226964
Reduced:	BrFNSH5C8 (1)
Stoich.:	ABCDE5F8 (1)
Weight, g/mol:	409.182398
ΔH_f, kcal/mol:	13.92
Dipole, Da:	3.05
IP(EA), eV:	-9.28(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1SCC#N)Br)F

DOS

IR

Vibrations