Geometry & MOs

Info

ID:	307572
PubChem CID:	125307547
Reduced:	NO7C33H61 (1)
Stoich.:	AB7C33D61 (1)
Weight, g/mol:	583.444803
ΔH_f, kcal/mol:	-408.0
Dipole, Da:	5.85
IP(EA), eV:	-9.98(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-O-[(E,2R,3R)-3-hydroxy-2-(octanoylamino)octadec-4-enyl] 1-O-(2-methoxyethyl) butanedioate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC/C=C/[C@@H]([C@@H](COC(=O)CCC(=O)OCCOC)NC(=O)CCCCCCC)O

DOS

IR

Vibrations