Geometry & MOs

Info

ID:	437733
PubChem CID:	135226962
Reduced:	SN2O3C19H20 (1)
Stoich.:	AB2C3D19E20 (1)
Weight, g/mol:	424.193297
ΔH_f, kcal/mol:	-32.21
Dipole, Da:	7.23
IP(EA), eV:	-8.2(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-(cyclopentylsulfonimidoyl)-2-(cyclopropylmethylamino)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)S(=O)C)OCC4CC4

DOS

IR

Vibrations