Geometry & MOs

Info

ID:	437749
PubChem CID:	135226978
Reduced:	SO2N3H21C22 (1)
Stoich.:	AB2C3D21E22 (1)
Weight, g/mol:	450.208947
ΔH_f, kcal/mol:	40.78
Dipole, Da:	5.85
IP(EA), eV:	-8.19(-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-1H-pyrrolo[2,3-c]pyridin-7-one

Drug info:

PubChemData

Smile

CN1C=C(C2=C(C1=O)NC=C2)C3=C(C=CC(=C3)SC4(CC4)C#N)OCC5CC5

DOS

IR

Vibrations