Geometry & MOs

Info

ID:

7554

PubChem CID:

73369

Reduced:

O9C41H64 (1)

Stoich.:

A9B41C64 (1)

Weight, g/mol:

700.455034

ΔHf, kcal/mol:

-406.6

Dipole, Da:

10.45

IP(EA), eV:

 -8.86(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(2S,3R,4S,6S)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-hydroxy-6-[3-hydroxy-8-(hydroxymethyl)-2,6,10,12,14,18,20-heptamethyldocosa-4,6,14,16,18-pentaen-2-yl]pyran-4-one

Drug info:

PubChemData

Smile

CCC(C)C=C(C)C=CC=C(C)CC(C)CC(C)CC(CO)C=C(C)C=CC(C(C)(C)C1=CC(=O)C(=C(O1)O)[C@H]2[C@@H]([C@H](C[C@H](O2)CO)O)O)O

DOS

IR

Vibrations