Geometry & MOs

Info

ID:

325463

PubChem CID:

126683403

Reduced:

N2O6C45H70 (1)

Stoich.:

A2B6C45D70 (1)

Weight, g/mol:

535.366159

ΔHf, kcal/mol:

-318.8

Dipole, Da:

4.66

IP(EA), eV:

 -9.43(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(1R,2S,5R,10S,20S)-8-cyano-1,2,6,6,10,17,17,20-octamethyl-7,13-dioxo-20-tetracyclo[12.8.0.02,11.05,10]docosa-8,11-dienyl]propanoic acid

Drug info:

PubChemData

Smile

CC1CC(CC[C@]1(CCC(=O)OC2CCN(CC2)C(=O)OC(C)(C)C)CCC(C)(C)[C@@]\3(CC[C@@H]4[C@@](/C3=C/C(=O)C)(C=C(C(=O)C4(C)C)C#N)C)C)(C)C

DOS

IR

Vibrations