Geometry & MOs

Info

ID:	131302
PubChem CID:	51188077
Reduced:	SN2O4C17H20 (1)
Stoich.:	AB2C4D17E20 (1)
Weight, g/mol:	318.121572
ΔH_f, kcal/mol:	-100.36
Dipole, Da:	7.83
IP(EA), eV:	-9.23(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethoxy-N-[1-(5-methylfuran-2-yl)ethyl]-3-nitrobenzamide

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C(C)NC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3CC3

DOS

IR

Vibrations