Geometry & MOs

Info

ID:

329253

PubChem CID:

126733138

Reduced:

O7H20C23 (1)

Stoich.:

A7B20C23 (1)

Weight, g/mol:

562.340673

ΔHf, kcal/mol:

-236.41

Dipole, Da:

11.71

IP(EA), eV:

 -9.09(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,5S,9S,13R,14S,17S)-7-cyano-17-(3,3-dimethylbutyl)-N,N,5,9,13,14,20-heptamethyl-2,8,18-trioxo-19-oxapentacyclo[15.2.1.01,14.04,13.05,10]icosa-3,6-diene-9-carboxamide

Drug info:

PubChemData

Smile

CC(=O)OCCCOC1=CC2=C(C=C1)C=C(C=C2)C(=O)OC3=CC=C(C=C3)C(=O)O

DOS

IR

Vibrations