Geometry & MOs

Info

ID:	437782
PubChem CID:	135227012
Reduced:	BrOF2H3C6 (1)
Stoich.:	ABC2D3E6 (1)
Weight, g/mol:	618.233448
ΔH_f, kcal/mol:	-83.36
Dipole, Da:	2.02
IP(EA), eV:	-9.94(-2.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-(cyclopropylsulfonimidoyl)-2-(spiro[2.5]octan-6-ylamino)phenyl]-2,6-dimethyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)F)OBr

DOS

IR

Vibrations