Geometry & MOs

Info

ID:	54811
PubChem CID:	17389325
Reduced:	BrSN3O3H16C17 (1)
Stoich.:	ABC3D3E16F17 (1)
Weight, g/mol:	515.00699
ΔH_f, kcal/mol:	14.72
Dipole, Da:	7.99
IP(EA), eV:	-8.53(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chlorophenyl)-2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole;hydrobromide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-].Br

DOS

IR

Vibrations