Geometry & MOs

Info

ID:	427820
PubChem CID:	135163637
Reduced:	N2O9C26H30 (1)
Stoich.:	A2B9C26D30 (1)
Weight, g/mol:	810.622099
ΔH_f, kcal/mol:	-336.9
Dipole, Da:	4.79
IP(EA), eV:	-8.96(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,4S)-3,4-bis(2-hydroxyethoxy)-6-methoxy-5-[(E)-octadec-9-enoyl]oxyoxan-2-yl]methyl (E)-octadec-9-enoate

Drug info:

PubChemData

Smile

CC(=O)N[C@@H](CC(=O)O)C(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)CO)CO)CO

DOS

IR

Vibrations