Geometry & MOs

Info

ID:

335812

PubChem CID:

127254674

Reduced:

O2F3N5C22H24 (1)

Stoich.:

A2B3C5D22E24 (1)

Weight, g/mol:

562.0295

ΔHf, kcal/mol:

-176.15

Dipole, Da:

5.27

IP(EA), eV:

 -9.18(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,11R,12S,16R)-11-(3-bromo-4-methoxybenzoyl)-14-(3-chlorophenyl)-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione

Drug info:

PubChemData

Smile

C1CCC(CC1)(CC2=NN=C3N2C=CC=C3)CNC(=O)NC4=CC=C(C=C4)OC(F)(F)F

DOS

IR

Vibrations