Geometry & MOs

Info

ID:	147247
PubChem CID:	53786901
Reduced:	NOCl2C13H15 (1)
Stoich.:	ABC2D13E15 (1)
Weight, g/mol:	436.258991
ΔH_f, kcal/mol:	-47.75
Dipole, Da:	5.78
IP(EA), eV:	-8.85(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-hydroxy-3-phosphonooxypropyl) octadec-13-enoate

Drug info:

PubChemData

Smile

CC(C)CC(=O)NC=CC1=CC(=C(C=C1)Cl)Cl

DOS

IR

Vibrations