Geometry & MOs

Info

ID:

215025

PubChem CID:

85084016

Reduced:

SiO11C35H45 (1)

Stoich.:

AB11C35D45 (1)

Weight, g/mol:

670.392827

ΔHf, kcal/mol:

-395.66

Dipole, Da:

5.37

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.753632

Charge, e:

 0

Chem-info

IUPAC name:

2-[[17-[1-[4-ethyl-3-hydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]-2-hydroxyethyl]-16,17-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1O)O[Si](C)C)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C6CC6)O)C)OC(=O)C

DOS

IR

Vibrations