Geometry & MOs

Info

ID:	128763
PubChem CID:	51057278
Reduced:	ClNBr2O3H14C17 (1)
Stoich.:	ABC2D3E14F17 (1)
Weight, g/mol:	474.90085
ΔH_f, kcal/mol:	-59.32
Dipole, Da:	5.2
IP(EA), eV:	-8.88(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(2-chlorophenyl)-3-(2,4-dibromo-3,5-dimethoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

COC1=C(C(=C(C(=C1)/C=C/C(=O)NC2=CC=C(C=C2)Cl)Br)OC)Br

DOS

IR

Vibrations