Geometry & MOs

Info

ID:	54847
PubChem CID:	17389393
Reduced:	BrNOC2H7 (2)
Stoich.:	ABCD2E7 (2)
Weight, g/mol:	681.10791
ΔH_f, kcal/mol:	-82.33
Dipole, Da:	1.91
IP(EA), eV:	-10.04(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(2,5-dimethylphenyl)-3-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazole;hydrobromide

Drug info:

PubChemData

Smile

C(CCON)CON.Br.Br

DOS

IR

Vibrations