Geometry & MOs

Info

ID:	437747
PubChem CID:	135226976
Reduced:	SO3N4C22H22 (1)
Stoich.:	AB3C4D22E22 (1)
Weight, g/mol:	604.217798
ΔH_f, kcal/mol:	32.48
Dipole, Da:	2.73
IP(EA), eV:	-8.45(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C2=C(C1=O)NC=C2)C3=C(C=CC(=C3)S(=N)(=O)C4(CC4)C#N)OCC5CC5

DOS

IR

Vibrations