Geometry & MOs

Info

ID:	142280
PubChem CID:	53008618
Reduced:	BrFSO2N4H14C16 (1)
Stoich.:	ABCD2E4F14G16 (1)
Weight, g/mol:	388.136925
ΔH_f, kcal/mol:	-23.6
Dipole, Da:	5.48
IP(EA), eV:	-9.5(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=NNC(=N2)CCNS(=O)(=O)C3=CC=C(C=C3)Br)F

DOS

IR

Vibrations