Geometry & MOs

Info

ID:	283942
PubChem CID:	104021920
Reduced:	BrSO2N4C12H15 (1)
Stoich.:	ABC2D4E12F15 (1)
Weight, g/mol:	361.98484
ΔH_f, kcal/mol:	-18.59
Dipole, Da:	2.74
IP(EA), eV:	-9.9(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(5-bromo-2-fluorophenyl)-4-propyl-1,2,4-triazole-3-sulfonamide

Drug info:

PubChemData

Smile

CCCN1C(=NN=C1S(=O)(=O)N)C2=C(C=C(C=C2)Br)C

DOS

IR

Vibrations