Geometry & MOs

Info

ID:	437712
PubChem CID:	135226877
Reduced:	BrFNOSH7C10 (1)
Stoich.:	ABCDEF7G10 (1)
Weight, g/mol:	455.111519
ΔH_f, kcal/mol:	8.7
Dipole, Da:	4.36
IP(EA), eV:	-9.14(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations