Geometry & MOs

Info

ID:	399525
PubChem CID:	135040756
Reduced:	NO2C8H11 (1)
Stoich.:	AB2C8D11 (1)
Weight, g/mol:	816.559893
ΔH_f, kcal/mol:	-75.11
Dipole, Da:	2.72
IP(EA), eV:	-9.67(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,6R)-3,4,5-trihydroxy-6-[(2R,5S)-3,4,5-trihydroxy-6-(tetradecanoyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl (Z)-octadec-9-enoate

Drug info:

PubChemData

Smile

C=C1[C@H]([C@@H]2CCCN2C1=O)O

DOS

IR

Vibrations