Geometry & MOs

Info

ID:	437838
PubChem CID:	135227124
Reduced:	IOS2N3C25H28 (1)
Stoich.:	ABC2D3E25F28 (1)
Weight, g/mol:	424.193297
ΔH_f, kcal/mol:	50.46
Dipole, Da:	2.56
IP(EA), eV:	-8.11(-2.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-4-[5-(methylsulfonimidoyl)-2-(spiro[2.5]octan-6-ylamino)phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one

Drug info:

PubChemData

Smile

CN1C=C(C2=C(C1=O)N(C=C2)SI)C3=C(C=CC(=C3)SC4CC4)NC5CCC6(CC5)CC6

DOS

IR

Vibrations