Geometry & MOs

Info

ID:

17104

PubChem CID:

484406

Reduced:

O3C13H20 (2)

Stoich.:

A3B13C20 (2)

Weight, g/mol:

448.282489

ΔHf, kcal/mol:

-298.31

Dipole, Da:

2.44

IP(EA), eV:

 -8.67(0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,3R,4S,5R,6R)-2-[[(4bS,8aS)-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

CC(C)C1=C(C=C2C(=C1)CC[C@@H]3[C@@]2(CCCC3(C)C)C)O[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O

DOS

IR

Vibrations