Geometry & MOs

Info

ID:	437811
PubChem CID:	135227097
Reduced:	OSN3C24H31 (1)
Stoich.:	ABC3D24E31 (1)
Weight, g/mol:	359.130363
ΔH_f, kcal/mol:	-25.65
Dipole, Da:	3.79
IP(EA), eV:	-8.15(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-[(2-hydroxy-2-methylpropyl)sulfonimidoyl]-2-methylphenyl]-1,6-dihydropyrrolo[2,3-c]pyridin-7-one

Drug info:

PubChemData

Smile

CCCSC1=CC(=C(C=C1)NC2CCC(CC2)C)C3=CN(C(=O)C4=C3C=CN4)C

DOS

IR

Vibrations