Geometry & MOs

Info

ID:

221767

PubChem CID:

85286122

Reduced:

O5C40H58 (1)

Stoich.:

A5B40C58 (1)

Weight, g/mol:

618.428425

ΔHf, kcal/mol:

-238.96

Dipole, Da:

6.74

IP(EA), eV:

 -8.77(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 1,2,6a,6b,9,12a-hexamethyl-9-(phenylmethoxymethyl)spiro[1,2,3,4,5,6,6a,7,8,8a,11,12,13,14b-tetradecahydropicene-10,2'-1,3-dioxolane]-4a-carboxylate

Drug info:

PubChemData

Smile

CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)OC(=O)C=CC6=CC(=C(C=C6)O)OC)C)CO

DOS

IR

Vibrations