Geometry & MOs

Info

ID:	437697
PubChem CID:	135226862
Reduced:	BrNO3C12H14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	435.142819
ΔH_f, kcal/mol:	-40.63
Dipole, Da:	7.7
IP(EA), eV:	-9.65(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)OC2=C(C=C(C=C2)[N+](=O)[O-])Br

DOS

IR

Vibrations