Geometry & MOs

Info

ID:	139070
PubChem CID:	52467517
Reduced:	SN3O7C15H19 (1)
Stoich.:	AB3C7D15E19 (1)
Weight, g/mol:	438.161329
ΔH_f, kcal/mol:	-124.14
Dipole, Da:	5.22
IP(EA), eV:	-10.58(-2.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-ethoxyphenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]propanamide

Drug info:

PubChemData

Smile

CCCCN([C@H]1CCS(=O)(=O)C1)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations