Geometry & MOs

Info

ID:	62699
PubChem CID:	26736247
Reduced:	SN2O7H18C21 (1)
Stoich.:	AB2C7D18E21 (1)
Weight, g/mol:	363.04701
ΔH_f, kcal/mol:	-130.6
Dipole, Da:	4.23
IP(EA), eV:	-8.4(-2.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromophenoxy)-N-(2-ethoxyphenyl)propanamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

DOS

IR

Vibrations