Geometry & MOs

Info

ID:	26306
PubChem CID:	643966
Reduced:	P2O16C41H80 (1)
Stoich.:	A2B16C41D80 (1)
Weight, g/mol:	565.543395
ΔH_f, kcal/mol:	-805.85
Dipole, Da:	8.07
IP(EA), eV:	-6.76(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]octadecanamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)O)O)O)OC(=O)CCCCCCCCCCCCCCC

DOS

IR

Vibrations