Geometry & MOs

Info

ID:	60529
PubChem CID:	26697140
Reduced:	NO2C11H14 (2)
Stoich.:	AB2C11D14 (2)
Weight, g/mol:	489.93844
ΔH_f, kcal/mol:	-91.28
Dipole, Da:	7.17
IP(EA), eV:	-8.52(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2,5-dibromophenyl)sulfonylamino]-N-(4-ethylphenyl)propanamide

Drug info:

PubChemData

Smile

CCCCOC1=C(C=C(C=C1)/C=N\OCC(=O)NC2=CC=C(C=C2)CC)OC

DOS

IR

Vibrations