Geometry & MOs

Info

ID:	437864
PubChem CID:	135227203
Reduced:	OSN3C24H31 (1)
Stoich.:	ABC3D24E31 (1)
Weight, g/mol:	401.140927
ΔH_f, kcal/mol:	-26.77
Dipole, Da:	0.89
IP(EA), eV:	-7.98(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCC(CC1)NC2=C(C=C(C=C2)SC(C)C)C3=CN(C(=O)C4=C3C=CN4)C

DOS

IR

Vibrations