Geometry & MOs

Info

ID:

12958

PubChem CID:

219114

Reduced:

NO3C29H45 (1)

Stoich.:

AB3C29D45 (1)

Weight, g/mol:

455.339944

ΔHf, kcal/mol:

-146.95

Dipole, Da:

3.87

IP(EA), eV:

 -8.41(1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S,2R,7S,10R,11S,13S,14S,15R,16S,17R,20S,23S)-13-hydroxy-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-yl] acetate

Drug info:

PubChemData

Smile

C[C@H]1CC[C@@H]2[C@H]([C@H]3[C@@H](N2C1)C[C@@H]4[C@@]3([C@H](C[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)OC(=O)C)C)O)C)C

DOS

IR

Vibrations