Geometry & MOs

Info

ID:	60767
PubChem CID:	26701978
Reduced:	N2O4C19H22 (1)
Stoich.:	A2B4C19D22 (1)
Weight, g/mol:	421.130757
ΔH_f, kcal/mol:	-59.16
Dipole, Da:	8.71
IP(EA), eV:	-9.62(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(butylsulfamoyl)phenyl]-4-ethoxy-3-nitrobenzamide

Drug info:

PubChemData

Smile

CC[C@@H](CNC(=O)C1=CC(=C(C=C1)OCC)[N+](=O)[O-])C2=CC=CC=C2

DOS

IR

Vibrations