Geometry & MOs

Info

ID:	172424
PubChem CID:	75508409
Reduced:	SN4O4C12H14 (1)
Stoich.:	AB4C4D12E14 (1)
Weight, g/mol:	331.087829
ΔH_f, kcal/mol:	-8.25
Dipole, Da:	12.5
IP(EA), eV:	-10.18(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-(3-methylphenyl)sulfonylpropyl]furo[3,2-c]pyridin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)S(=O)(=O)CCCN2C=NC(=N2)[N+](=O)[O-]

DOS

IR

Vibrations