Geometry & MOs

Info

ID:	61260
PubChem CID:	26707513
Reduced:	ClS3N4O4C17H17 (1)
Stoich.:	AB3C4D4E17F17 (1)
Weight, g/mol:	450.0049
ΔH_f, kcal/mol:	-31.84
Dipole, Da:	2.91
IP(EA), eV:	-9.27(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide

Drug info:

PubChemData

Smile

C1CN(CCN1C(=O)CCC2=NC(=NO2)C3=CSC=C3)S(=O)(=O)C4=CC=C(S4)Cl

DOS

IR

Vibrations