Geometry & MOs

Info

ID:

54813

PubChem CID:

17389332

Reduced:

BrSN3O4H28C32 (1)

Stoich.:

ABC3D4E28F32 (1)

Weight, g/mol:

657.08524

ΔHf, kcal/mol:

-10.65

Dipole, Da:

4.93

IP(EA), eV:

 -8.45(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[2-[3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-5-ethyl-1,3-thiazol-4-yl]phenyl] benzoate;hydrobromide

Drug info:

PubChemData

Smile

CCC1=C(N=C(S1)N2C(CC(=N2)C3=CC=C(C=C3)OC)C4=CC=CO4)C5=CC=C(C=C5)OC(=O)C6=CC=CC=C6.Br

DOS

IR

Vibrations