Geometry & MOs

Info

ID:	283892
PubChem CID:	104017984
Reduced:	ClSO2N3C11H18 (1)
Stoich.:	ABC2D3E11F18 (1)
Weight, g/mol:	285.033876
ΔH_f, kcal/mol:	-67.64
Dipole, Da:	9.54
IP(EA), eV:	-10.98(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-phenylpropyl)-1H-1,2,4-triazole-3-sulfonyl chloride

Drug info:

PubChemData

Smile

CC(C)CC1(CCCC1)C2=NC(=NN2)S(=O)(=O)Cl

DOS

IR

Vibrations