Geometry & MOs

Info

ID:

410503

PubChem CID:

135083301

Reduced:

P2O6C13H26 (1)

Stoich.:

A2B6C13D26 (1)

Weight, g/mol:

542.251583

ΔHf, kcal/mol:

-377.32

Dipole, Da:

5.51

IP(EA), eV:

 -9.97(0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,3S,3'S,7R,9R,10S,15R,17R,18S,19S,21S,25S)-14-hydroxy-9-(hydroxymethyl)-3',9,19,21-tetramethylspiro[4,16,24-trioxaheptacyclo[13.8.1.115,18.01,13.03,7.03,10.021,25]pentacos-13-ene-17,5'-oxolane]-2',5,20-trione

Drug info:

PubChemData

Smile

CCOP(=O)(C(=C=C(C)P(=O)(OCC)OCC)C)OCC

DOS

IR

Vibrations