Geometry & MOs

Info

ID:	218535
PubChem CID:	85089585
Reduced:	N3O6C25H39 (1)
Stoich.:	A3B6C25D39 (1)
Weight, g/mol:	477.402939
ΔH_f, kcal/mol:	-309.27
Dipole, Da:	5.49
IP(EA), eV:	-9.46(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[hexadecyl(3-methoxypropyl)amino]hexane-1,2,3,4,5-pentol

Drug info:

PubChemData

Smile

CC(C)CC(=O)NC(CC(=O)NC(CC1=CC=CC=C1)C(CCC(=O)NCC(C)C)O)C(=O)O

DOS

IR

Vibrations