Geometry & MOs

Info

ID:	329526
PubChem CID:	126737822
Reduced:	NO2C12H12 (2)
Stoich.:	AB2C12D12 (2)
Weight, g/mol:	475.342661
ΔH_f, kcal/mol:	-88.69
Dipole, Da:	2.81
IP(EA), eV:	-8.89(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-[[(Z)-octadec-9-enoyl]amino]hexyl hydrogen phosphate

Drug info:

PubChemData

Smile

CCC(C)[C@@H](C1=NC(=CO1)C=O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

DOS

IR

Vibrations