Geometry & MOs

Info

ID:

141681

PubChem CID:

52915838

Reduced:

NSiO7C30H55 (1)

Stoich.:

ABC7D30E55 (1)

Weight, g/mol:

435.277344

ΔHf, kcal/mol:

-442.04

Dipole, Da:

5.99

IP(EA), eV:

 -9.31(0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1R,4S,5R,9S,10S,13R,15S)-5,9-dimethyl-14-methylidene-5-(phenylcarbamoyl)-15-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate

Drug info:

PubChemData

Smile

CCOC(=O)C[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)/C(=C/[C@@H]2COC(N2C(=O)OC(C)(C)C)(C)C)/C)C)O[Si](CC)(CC)CC)C

DOS

IR

Vibrations