Geometry & MOs

Info

ID:	54751
PubChem CID:	17389203
Reduced:	BrSO2N3F6H14C25 (1)
Stoich.:	ABC2D3E6F14G25 (1)
Weight, g/mol:	603.00845
ΔH_f, kcal/mol:	-291.59
Dipole, Da:	6.56
IP(EA), eV:	-8.93(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[3,5-bis(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-N,N-diethylbenzenesulfonamide;hydrobromide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC=CC(=C3)C4=CSC(=N4)NC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F.Br

DOS

IR

Vibrations