Geometry & MOs

Info

ID:	437730
PubChem CID:	135226959
Reduced:	SN3O4C22H23 (1)
Stoich.:	AB3C4D22E23 (1)
Weight, g/mol:	441.172228
ΔH_f, kcal/mol:	-64.56
Dipole, Da:	5.0
IP(EA), eV:	-8.35(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-(cyclopropylsulfonimidoyl)-2-(4-hydroxycyclohexyl)oxyphenyl]-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)S(=NC(=O)C=C)(=O)C)OCC4CC4

DOS

IR

Vibrations