Geometry & MOs

Info

ID:	283904
PubChem CID:	104019274
Reduced:	ClSO2N5C10H14 (1)
Stoich.:	ABC2D5E10F14 (1)
Weight, g/mol:	249.033875
ΔH_f, kcal/mol:	-16.08
Dipole, Da:	10.12
IP(EA), eV:	-9.76(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyclobutyl-4-ethyl-1,2,4-triazole-3-sulfonyl chloride

Drug info:

PubChemData

Smile

CCN1C(=NN=C1S(=O)(=O)Cl)C2=C(N(N=C2C)C)C

DOS

IR

Vibrations