Geometry & MOs

Info

ID:

178283

PubChem CID:

76308474

Reduced:

N5O5C24H29 (1)

Stoich.:

A5B5C24D29 (1)

Weight, g/mol:

431.10929

ΔHf, kcal/mol:

-105.1

Dipole, Da:

6.09

IP(EA), eV:

 -8.11(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,2,2-trifluoroethyl (7S)-15-(furan-2-yl)-12-oxo-2,4,11-triazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,13,15-pentaene-5-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(O1)C(=O)N2CCN([C@@H]3[C@@H]2CCCC3)C4=NC5=CC(=C(C=C5C(=N4)N)OC)OC

DOS

IR

Vibrations