Geometry & MOs

Info

ID:	437720
PubChem CID:	135226885
Reduced:	BrFOSN2H8C10 (1)
Stoich.:	ABCDE2F8G10 (1)
Weight, g/mol:	483.142819
ΔH_f, kcal/mol:	23.28
Dipole, Da:	3.72
IP(EA), eV:	-9.91(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1(C#N)S(=N)(=O)C2=CC(=C(C=C2)F)Br

DOS

IR

Vibrations