Geometry & MOs

Info

ID:	219694
PubChem CID:	85164564
Reduced:	N2O4C14H21 (2)
Stoich.:	A2B4C14D21 (2)
Weight, g/mol:	562.211769
ΔH_f, kcal/mol:	-372.48
Dipole, Da:	6.25
IP(EA), eV:	-8.3(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5,12-dihydroxy-4,13-bis(methoxymethoxy)-9-methylsulfonyloxyhexadeca-2,14-dien-8-yl] methanesulfonate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CN1CCN(C(C1=O)CC(=O)OC)C(=O)C(CC2=CC=C(C=C2)NC)NC(=O)OC(C)(C)C

DOS

IR

Vibrations