Geometry & MOs

Info

ID:	66266
PubChem CID:	46501237
Reduced:	BrN3O4H26C31 (1)
Stoich.:	AB3C4D26E31 (1)
Weight, g/mol:	515.408693
ΔH_f, kcal/mol:	-5.42
Dipole, Da:	4.16
IP(EA), eV:	-8.58(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(octanoylamino)carbamoyl]phenyl]hexadecanamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)/C=C(/C(=O)N/N=C\C2=CC=CC=C2OCC3=CC(=CC=C3)Br)\NC(=O)C4=CC=CC=C4

DOS

IR

Vibrations