Geometry & MOs

Info

ID:

15402

PubChem CID:

440517

Reduced:

O9C33H52 (1)

Stoich.:

A9B33C52 (1)

Weight, g/mol:

592.361133

ΔHf, kcal/mol:

-361.75

Dipole, Da:

3.74

IP(EA), eV:

 -8.85(0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(1S,2S,4S,5'S,6S,7S,8R,9S,12S,13R,16S)-5'-(hydroxymethyl)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxolane]-16-yl]oxyoxane-3,4,5-triol

Drug info:

PubChemData

Smile

C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)O[C@]17CC[C@@](O7)(C)CO

DOS

IR

Vibrations