Geometry & MOs

Info

ID:	380694
PubChem CID:	134971221
Reduced:	O6C15H20 (1)
Stoich.:	A6B15C20 (1)
Weight, g/mol:	639.283217
ΔH_f, kcal/mol:	-228.95
Dipole, Da:	5.67
IP(EA), eV:	-9.32(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,4R,5R)-3-benzamido-4-benzoyloxy-2-oxo-5-[(E)-6-oxododec-2-enyl]oxolan-3-yl]methyl benzoate

Drug info:

PubChemData

Smile

COC(=O)C(=C)[C@@H]([C@@H]([C@H](COCC1=CC=CC=C1)O)O)O

DOS

IR

Vibrations