Geometry & MOs

Info

ID:

7504

PubChem CID:

73154

Reduced:

O7C20H26 (1)

Stoich.:

A7B20C26 (1)

Weight, g/mol:

378.167853

ΔHf, kcal/mol:

-280.04

Dipole, Da:

3.32

IP(EA), eV:

 -9.05(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,4R,5R,6R,7S,11R,13S,17S,18S,19R)-4,5,17-trihydroxy-6,14,18-trimethyl-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-ene-9,16-dione

Drug info:

PubChemData

Smile

C[C@@H]1[C@@H]2CC(=O)O[C@H]3[C@@]24CO[C@@]([C@@H]1O)([C@@H]4[C@@]5([C@@H](C3)C(=CC(=O)[C@H]5O)C)C)O

DOS

IR

Vibrations