Geometry & MOs

Info

ID:	437784
PubChem CID:	135227014
Reduced:	SF2N3O3H23C24 (1)
Stoich.:	AB2C3D3E23F24 (1)
Weight, g/mol:	443.187878
ΔH_f, kcal/mol:	-106.17
Dipole, Da:	5.69
IP(EA), eV:	-8.42(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCS(=NC)(=O)CC1=CC(=C(C=C1)OC2=C(C=C(C=C2)F)F)C3=CN(C(=O)C4=C3C=CN4)C

DOS

IR

Vibrations