Geometry & MOs

Info

ID:

325459

PubChem CID:

126683390

Reduced:

NO2C33H45 (1)

Stoich.:

AB2C33D45 (1)

Weight, g/mol:

487.34503

ΔHf, kcal/mol:

-74.62

Dipole, Da:

9.67

IP(EA), eV:

 -9.58(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2R,15S,19S,21S)-1,2,8,8,15,19-hexamethyl-12,18-dioxo-5-propan-2-ylhexacyclo[12.9.0.02,11.05,10.015,21.019,21]tricosa-13,16-diene-17-carbonitrile

Drug info:

PubChemData

Smile

C/C=C/C12CC[C@@]3(C(C1CC(CC2)(C)C)C(=O)C=C4[C@]3(CC[C@@H]5[C@@]4(C=C(C(=O)C5(C)C)C#N)C)C)C

DOS

IR

Vibrations