Geometry & MOs

Info

ID:

429627

PubChem CID:

135169676

Reduced:

SO2N6C19H20 (1)

Stoich.:

AB2C6D19E20 (1)

Weight, g/mol:

522.15397

ΔHf, kcal/mol:

47.67

Dipole, Da:

6.33

IP(EA), eV:

 -8.3(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2E,4E)-4-cyano-5-(methylideneamino)-5-(1-methylpyrazol-3-yl)penta-2,4-dien-2-yl]-1-(8-fluoroquinolin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CNC1=NC2=C(C=C(C=C2S1)OCC3=CC(=NC=C3)NC4=CN(N=C4)C)OC

DOS

IR

Vibrations