Geometry & MOs

Info

ID:

7641

PubChem CID:

73589

Reduced:

O7C19H22 (1)

Stoich.:

A7B19C22 (1)

Weight, g/mol:

362.136553

ΔHf, kcal/mol:

-224.95

Dipole, Da:

4.7

IP(EA), eV:

 -10.66(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2R,4R,5R,10S,12S,14R,15R,18R)-5-(1-hydroxypropan-2-yl)-10,15-dimethyl-3,6,13,17-tetraoxahexacyclo[8.7.1.02,4.04,9.012,14.015,18]octadec-8-ene-7,16-dione

Drug info:

PubChemData

Smile

CC(CO)[C@@H]1[C@]23[C@H](O2)[C@@H]4[C@@H]5[C@@](C3=CC(=O)O1)(C[C@H]6[C@@H]([C@@]5(C(=O)O4)C)O6)C

DOS

IR

Vibrations