Geometry & MOs

Info

ID:

220099

PubChem CID:

85165241

Reduced:

O5C18H29 (2)

Stoich.:

A5B18C29 (2)

Weight, g/mol:

650.475769

ΔHf, kcal/mol:

-505.54

Dipole, Da:

2.34

IP(EA), eV:

 -9.67(0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[13-[5-[5-(8-hexyl-1,3-dioxocan-4-yl)oxolan-2-yl]oxolan-2-yl]-10,13-dihydroxytridecyl]-2-methyl-2H-furan-5-one

Drug info:

PubChemData

Smile

CC1(C(CCC23C1C(=O)CC4C2(C3)CCC5(C4(CC(C5C6(CCC(O6)C(C)(C)O)C)O)C)C)OC7C(C(C(C(O7)CO)O)O)O)C

DOS

IR

Vibrations