Geometry & MOs

Info

ID:

191322

PubChem CID:

78131320

Reduced:

NCl6O19C58H61 (1)

Stoich.:

AB6C19D58E61 (1)

Weight, g/mol:

364.26136

ΔHf, kcal/mol:

-720.85

Dipole, Da:

7.51

IP(EA), eV:

 -9.98(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6'-(hydroxymethyl)-2',6',12'-trimethylspiro[1,3-dioxolane-2,13'-tetracyclo[8.6.0.01,14.02,7]hexadecane]-15'-ol

Drug info:

PubChemData

Smile

CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C5C(N(C(O5)C6=CC=C(C=C6)C(=O)C)C(=O)OC(C)(C)C)C7=CC=CC=C7)O)OC(=O)C8=CC=CC=C8)(CO4)OC(=O)C)OC(=O)OCC(Cl)(Cl)Cl)C)OC(=O)OCC(Cl)(Cl)Cl

DOS

IR

Vibrations