Geometry & MOs

Info

ID:

54851

PubChem CID:

17389397

Reduced:

BrSN4O4H27C34 (1)

Stoich.:

ABC4D4E27F34 (1)

Weight, g/mol:

656.88779

ΔHf, kcal/mol:

4.52

Dipole, Da:

4.13

IP(EA), eV:

 -8.33(-1.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(4-bromophenyl)-2-[3-(2,4-dichlorophenyl)-5-(3-fluoro-4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole;hydrobromide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2CC(=NN2C3=NC(=CS3)C4=CC(=CC=C4)N5C(=O)C6=CC=CC=C6C5=O)C7=CC=C(C=C7)OC.Br

DOS

IR

Vibrations