Geometry & MOs

Info

ID:

325479

PubChem CID:

126683496

Reduced:

N3O3C39H53 (1)

Stoich.:

A3B3C39D53 (1)

Weight, g/mol:

491.37633

ΔHf, kcal/mol:

22.81

Dipole, Da:

8.19

IP(EA), eV:

 -8.37(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,2S,5R,10S,20S)-20-ethyl-1,2,6,6,10,17,17,20-octamethyl-7,13-dioxotetracyclo[12.8.0.02,11.05,10]docosa-8,11-diene-8-carbonitrile

Drug info:

PubChemData

Smile

C[C@]1(CC[C@@]2(C(CCC(CC1)(C)C)C(=O)C=C3[C@]2(CC[C@@H]4[C@@]3(C=C(C(=O)C4(C)C)C#N)C)C)C)CCC(=O)NC5=CC=CC=N5

DOS

IR

Vibrations