Geometry & MOs

Info

ID:	380723
PubChem CID:	134971251
Reduced:	NO8C23H35 (1)
Stoich.:	AB8C23D35 (1)
Weight, g/mol:	453.236267
ΔH_f, kcal/mol:	-383.86
Dipole, Da:	7.61
IP(EA), eV:	-9.64(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(5R)-3-acetamido-4-acetyloxy-2-oxo-5-[(Z)-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)(COC(=O)C)NC(=O)C)OC(=O)C

DOS

IR

Vibrations