Geometry & MOs

Info

ID:

43415

PubChem CID:

10321259

Reduced:

O3C29H48 (1)

Stoich.:

A3B29C48 (1)

Weight, g/mol:

444.360345

ΔHf, kcal/mol:

-214.02

Dipole, Da:

2.61

IP(EA), eV:

 -9.32(0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,3R)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]-1-cyclopropylethylidene]cyclohexane-1,3-diol

Drug info:

PubChemData

Smile

C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3([C@@H](C[C@@H](C4)OC(=O)C)O)C)C

DOS

IR

Vibrations