Geometry & MOs

Info

ID:	283919
PubChem CID:	104020576
Reduced:	BrClSO3N4C11H12 (1)
Stoich.:	ABCD3E4F11G12 (1)
Weight, g/mol:	274.109962
ΔH_f, kcal/mol:	-43.09
Dipole, Da:	1.36
IP(EA), eV:	-9.64(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(oxan-2-yl)-4-propan-2-yl-1,2,4-triazole-3-sulfonamide

Drug info:

PubChemData

Smile

COCCN1C(=NN=C1S(=O)(=O)N)C2=CC(=C(C=C2)Br)Cl

DOS

IR

Vibrations