Geometry & MOs

Info

ID:	283909
PubChem CID:	104019807
Reduced:	ClSO2N3C13H24 (1)
Stoich.:	ABC2D3E13F24 (1)
Weight, g/mol:	317.023705
ΔH_f, kcal/mol:	-88.15
Dipole, Da:	8.26
IP(EA), eV:	-10.64(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,4-dimethoxyphenyl)-4-methyl-1,2,4-triazole-3-sulfonyl chloride

Drug info:

PubChemData

Smile

CCCN1C(=NN=C1S(=O)(=O)Cl)CC(C)CC(C)(C)C

DOS

IR

Vibrations