Geometry & MOs

Info

ID:	283943
PubChem CID:	104021921
Reduced:	BrFSO2N4C11H12 (1)
Stoich.:	ABCD2E4F11G12 (1)
Weight, g/mol:	306.089895
ΔH_f, kcal/mol:	-53.31
Dipole, Da:	4.9
IP(EA), eV:	-10.09(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1H-indazol-3-yl)-4-propyl-1,2,4-triazole-3-sulfonamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations