Geometry & MOs

Info

ID:

395698

PubChem CID:

135026279

Reduced:

O2C11H11 (2)

Stoich.:

A2B11C11 (2)

Weight, g/mol:

557.13854

ΔHf, kcal/mol:

-78.57

Dipole, Da:

3.74

IP(EA), eV:

 -8.28(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,9S,16R,19R)-17-methyl-4,4-bis(2,2,2-trifluoroethoxy)-10-oxa-8,17,23-triazahexacyclo[12.6.2.216,19.01,9.02,7.011,21]tetracosa-2,5,7,11(21),12,14(22)-hexaene-18,24-dione

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C2=CC=CC=C2OCC3=CC=CC=C3

DOS

IR

Vibrations