Geometry & MOs

Info

ID:	380722
PubChem CID:	134971250
Reduced:	NO6C24H33 (1)
Stoich.:	AB6C24D33 (1)
Weight, g/mol:	453.236267
ΔH_f, kcal/mol:	-255.2
Dipole, Da:	3.95
IP(EA), eV:	-9.75(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(5R)-3-acetamido-4-acetyloxy-2-oxo-5-[(E)-6-oxododec-2-enyl]oxolan-3-yl]methyl acetate

Drug info:

PubChemData

Smile

CCCCCCC(=O)CC/C=C/C[C@@H]1C(C(C(=O)O1)(CO)NC(=O)C2=CC=CC=C2)O

DOS

IR

Vibrations