Geometry & MOs

Info

ID:	283915
PubChem CID:	104020311
Reduced:	ClSO2N3C11H20 (1)
Stoich.:	ABC2D3E11F20 (1)
Weight, g/mol:	327.080826
ΔH_f, kcal/mol:	-76.96
Dipole, Da:	8.55
IP(EA), eV:	-10.71(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,3-dimethylphenyl)-4-(2-methylpropyl)-1,2,4-triazole-3-sulfonyl chloride

Drug info:

PubChemData

Smile

CCCCCC1=NN=C(N1CC(C)C)S(=O)(=O)Cl

DOS

IR

Vibrations