Geometry & MOs

Info

ID:	310453
PubChem CID:	126580498
Reduced:	O4C17H26 (1)
Stoich.:	A4B17C26 (1)
Weight, g/mol:	480.308704
ΔH_f, kcal/mol:	-124.64
Dipole, Da:	2.67
IP(EA), eV:	-9.61(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-O-[(3R,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 1-O-methyl decanedioate

Drug info:

PubChemData

Smile

CC1=CC(=O)[C@H]([C@@H]([C@@]12CO2)[C@@]3([C@H](O3)CCC(C)C)C)OC

DOS

IR

Vibrations