Geometry & MOs

Info

ID:	142279
PubChem CID:	53008160
Reduced:	S3N4O4C16H18 (1)
Stoich.:	A3B4C4D16E18 (1)
Weight, g/mol:	424.00049
ΔH_f, kcal/mol:	-95.81
Dipole, Da:	9.59
IP(EA), eV:	-8.5(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[2-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]ethyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CCSC1=NN=C(S1)NC(=O)C2CCC(=O)N2S(=O)(=O)C3=CC=C(C=C3)C

DOS

IR

Vibrations