Geometry & MOs

Info

ID:	54816
PubChem CID:	17389336
Reduced:	BrIS2N3O3C19H19 (1)
Stoich.:	ABC2D3E3F19G19 (1)
Weight, g/mol:	535.02107
ΔH_f, kcal/mol:	-35.04
Dipole, Da:	7.87
IP(EA), eV:	-8.89(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-diethyl-4-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]benzenesulfonamide;hydrobromide

Drug info:

PubChemData

Smile

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C3=CSC(=N3)NC4=CC=C(C=C4)I.Br

DOS

IR

Vibrations