Geometry & MOs

Info

ID:	54818
PubChem CID:	17389340
Reduced:	BrS2N3O3C21H24 (1)
Stoich.:	AB2C3D3E21F24 (1)
Weight, g/mol:	669.12969
ΔH_f, kcal/mol:	-58.62
Dipole, Da:	7.13
IP(EA), eV:	-8.93(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC2=NC(=CS2)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4.Br

DOS

IR

Vibrations