Geometry & MOs

Info

ID:

336246

PubChem CID:

127255253

Reduced:

N2O3C15H16 (1)

Stoich.:

A2B3C15D16 (1)

Weight, g/mol:

577.01072

ΔHf, kcal/mol:

-57.91

Dipole, Da:

4.86

IP(EA), eV:

 -8.56(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(14Z)-14-[(3-bromo-2-hydroxy-5-nitrophenyl)methylidene]-11-(4-fluorophenyl)-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1)C(=O)C2=CC(=O)C(=CN2)OC

DOS

IR

Vibrations