Geometry & MOs

Info

ID:

320392

PubChem CID:

126660164

Reduced:

ClNO2C30H46 (1)

Stoich.:

ABC2D30E46 (1)

Weight, g/mol:

437.32938

ΔHf, kcal/mol:

-98.92

Dipole, Da:

3.24

IP(EA), eV:

 -8.96(0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,2'R,3R,3aS,6S,7aR,10'R,11'S)-3,4,6,10',14'-pentamethylspiro[3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine-2,15'-pentacyclo[12.3.1.01,13.02,11.05,10]octadec-5-ene]-7'-one

Drug info:

PubChemData

Smile

C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CCC45CC3(C4C[C@H]6[C@H]5CC=C7[C@@]6(CC[C@@H](C7)O)C)C)C)N(C1)CCCl

DOS

IR

Vibrations