Geometry & MOs

Info

ID:

544

PubChem CID:

2967

Reduced:

O5C16H24 (2)

Stoich.:

A5B16C24 (2)

Weight, g/mol:

592.324748

ΔHf, kcal/mol:

-483.12

Dipole, Da:

4.17

IP(EA), eV:

 -8.95(0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

13-hydroxy-9-(1-hydroxyethyl)-3-[5-(3-hydroxyphenyl)-5-methoxypentan-2-yl]-4,14,16,16-tetramethyl-2,6,10,17-tetraoxatricyclo[11.3.1.11,5]octadecane-7,11-dione

Drug info:

PubChemData

Smile

CC1CC(C23CC(C(C(O2)C(C)CCC(C4=CC(=CC=C4)O)OC)C)OC(=O)CC(OC(=O)CC1(O3)O)C(C)O)(C)C

DOS

IR

Vibrations