Geometry & MOs

Info

ID:	54805
PubChem CID:	17389310
Reduced:	N2O2S2C27H34 (1)
Stoich.:	A2B2C2D27E34 (1)
Weight, g/mol:	499.01878
ΔH_f, kcal/mol:	-17.79
Dipole, Da:	2.71
IP(EA), eV:	-8.22(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-(4-methylphenyl)-1,3-thiazole;hydrobromide

Drug info:

PubChemData

Smile

C1CCC(CC1)NC2CCCCC2.C1=CC=C2C(=C1)N=C(S2)SCC3=CC=C(C=C3)C(=O)O

DOS

IR

Vibrations