Geometry & MOs

Info

ID:	283918
PubChem CID:	104020348
Reduced:	ClSO2N5C9H12 (1)
Stoich.:	ABC2D5E9F12 (1)
Weight, g/mol:	393.9502
ΔH_f, kcal/mol:	-3.41
Dipole, Da:	6.36
IP(EA), eV:	-10.18(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-bromo-3-chlorophenyl)-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonamide

Drug info:

PubChemData

Smile

CC(C)CN1C(=NN=C1S(=O)(=O)Cl)C2=CC=NN2

DOS

IR

Vibrations