Geometry & MOs

Info

ID:	437815
PubChem CID:	135227101
Reduced:	OSN3C24H29 (1)
Stoich.:	ABC3D24E29 (1)
Weight, g/mol:	427.192963
ΔH_f, kcal/mol:	9.11
Dipole, Da:	3.79
IP(EA), eV:	-8.04(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-4-[2-[(4-methylcyclohexyl)methoxy]-5-(methylsulfonimidoyl)phenyl]-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)SC4CC4)NC5CCCCCC5

DOS

IR

Vibrations