Geometry & MOs

Info

ID:

54808

PubChem CID:

17389317

Reduced:

BrCl2O2S2N3C20H20 (1)

Stoich.:

AB2C2D2E3F20G20 (1)

Weight, g/mol:

633.05556

ΔHf, kcal/mol:

-40.77

Dipole, Da:

8.51

IP(EA), eV:

 -8.96(-1.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CSC(=N3)NC4=CC(=C(C=C4)Cl)Cl.Br

DOS

IR

Vibrations