Geometry & MOs

Info

ID:	66283
PubChem CID:	46501280
Reduced:	BrNO2H8C10 (2)
Stoich.:	ABC2D8E10 (2)
Weight, g/mol:	517.86632
ΔH_f, kcal/mol:	-46.82
Dipole, Da:	6.61
IP(EA), eV:	-8.79(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-1-(4-bromophenyl)ethylideneamino]-2-(2,6-dibromo-4-methylphenoxy)acetamide

Drug info:

PubChemData

Smile

COC1=C(C(=O)/C(=C\NNC(=O)COC2=CC3=CC=CC=C3C=C2)/C=C1Br)Br

DOS

IR

Vibrations