Geometry & MOs

Info

ID:

49436

PubChem CID:

11533021

Reduced:

ClN3O4H22C26 (1)

Stoich.:

AB3C4D22E26 (1)

Weight, g/mol:

475.191421

ΔHf, kcal/mol:

-78.4

Dipole, Da:

9.11

IP(EA), eV:

 -9.47(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,2S,10S,13S,14R,17S)-5-(4-chlorophenyl)-17-hydroxy-10,14-dimethyl-7-oxo-6-oxapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-4,8,19-triene-8-carbonitrile

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=NC=C(C=C1)C2=CC(=C(C=C2)Cl)C(=O)N3CC[C@]4(C3)C5=CC=CC=C5C(=O)O4

DOS

IR

Vibrations