Geometry & MOs

Info

ID:	437860
PubChem CID:	135227199
Reduced:	ClFSN2O2H18C22 (1)
Stoich.:	ABCD2E2F18G22 (1)
Weight, g/mol:	440.224597
ΔH_f, kcal/mol:	-51.48
Dipole, Da:	2.88
IP(EA), eV:	-8.4(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(cyclooctylamino)-5-(ethylsulfonimidoyl)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one

Drug info:

PubChemData

Smile

CCSC1=CC(=C(C=C1)OC2=C(C=C(C=C2)Cl)F)C3=CN(C(=O)C4=C3C=CN4)C

DOS

IR

Vibrations