Geometry & MOs

Info

ID:	283970
PubChem CID:	104022802
Reduced:	BrSO2N4C12H15 (1)
Stoich.:	ABC2D4E12F15 (1)
Weight, g/mol:	348.021452
ΔH_f, kcal/mol:	-14.7
Dipole, Da:	3.84
IP(EA), eV:	-9.85(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3,5-dichlorophenyl)-4-(2-methylpropyl)-1,2,4-triazole-3-sulfonamide

Drug info:

PubChemData

Smile

CC(C)CN1C(=NN=C1S(=O)(=O)N)C2=CC=C(C=C2)Br

DOS

IR

Vibrations