Geometry & MOs

Info

ID:

141694

PubChem CID:

52918086

Reduced:

O19C34H40 (1)

Stoich.:

A19B34C40 (1)

Weight, g/mol:

332.235145

ΔHf, kcal/mol:

-811.28

Dipole, Da:

2.26

IP(EA), eV:

 -9.7(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (1R,4S,5R,9S,13R)-15-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate

Drug info:

PubChemData

Smile

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C)O)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations