Geometry & MOs

Info

ID:	437805
PubChem CID:	135227091
Reduced:	OSN3C26H31 (1)
Stoich.:	ABC3D26E31 (1)
Weight, g/mol:	464.224597
ΔH_f, kcal/mol:	18.25
Dipole, Da:	1.39
IP(EA), eV:	-7.78(0.02)
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-1H-pyrrolo[2,3-c]pyridin-7-one

Drug info:

PubChemData

Smile

CC1=CC2=C(N1)C(=O)N(C=C2C3=C(C=CC(=C3)SC4CC4)NC5CCC6(CC5)CC6)C

DOS

IR

Vibrations