Geometry & MOs

Info

ID:	272903
PubChem CID:	103764753
Reduced:	SO2N3C12H17 (1)
Stoich.:	AB2C3D12E17 (1)
Weight, g/mol:	256.084792
ΔH_f, kcal/mol:	-3.68
Dipole, Da:	6.54
IP(EA), eV:	-8.77(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1-benzofuran-3-yl)-2-oxo-1H-pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=N1)NC2CCCC2SC)[N+](=O)[O-]

DOS

IR

Vibrations