Geometry & MOs

Info

ID:

83551

PubChem CID:

49857847

Reduced:

SiO4C23H44 (1)

Stoich.:

AB4C23D44 (1)

Weight, g/mol:

705.427439

ΔHf, kcal/mol:

-283.83

Dipole, Da:

1.98

IP(EA), eV:

 -8.76(1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,3R,4S,5S,6R)-2-[[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(pyridin-1-ium-1-ylmethyl)oxane-3,4,5-triol;methanesulfonate

Drug info:

PubChemData

Smile

CC1(OC[C@H](O1)[C@H]2CC(=C)CC[C@]2(CCCCO[Si](C)(C)C(C)(C)C)CO)C

DOS

IR

Vibrations