Geometry & MOs

Info

ID:	27872
PubChem CID:	823962
Reduced:	SO2N3C17H17 (1)
Stoich.:	AB2C3D17E17 (1)
Weight, g/mol:	274.058971
ΔH_f, kcal/mol:	-40.81
Dipole, Da:	2.49
IP(EA), eV:	-8.6(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-acetylphenyl)-5-nitrofuran-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NC(=S)NC1=CC=C(C=C1)NC(=O)CC2=CC=CC=C2

DOS

IR

Vibrations