Geometry & MOs

Info

ID:	129275
PubChem CID:	51072147
Reduced:	BrFSO3N4H24C27 (1)
Stoich.:	ABCD3E4F24G27 (1)
Weight, g/mol:	548.08816
ΔH_f, kcal/mol:	17.75
Dipole, Da:	6.47
IP(EA), eV:	-8.62(-1.34)
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-methylphenyl)-1,3-thiazole;hydrobromide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C2=NN(C(C2)C3=CC(=CC=C3)[N+](=O)[O-])C4=NC(=CS4)C5=CC(=C(C=C5)OC)F.Br

DOS

IR

Vibrations