Geometry & MOs

Info

ID:	299185
PubChem CID:	117676387
Reduced:	NSCl2O4C7H13 (1)
Stoich.:	ABC2D4E7F13 (1)
Weight, g/mol:	562.54373
ΔH_f, kcal/mol:	-166.37
Dipole, Da:	5.01
IP(EA), eV:	-9.98(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

16-[1-(16-oxohexadecyl)piperazin-2-yl]hexadecanal

Drug info:

PubChemData

Smile

CCS(=O)(=O)OC(=O)CC(C)(C)N(Cl)Cl

DOS

IR

Vibrations