Geometry & MOs

Info

ID:	283900
PubChem CID:	104019074
Reduced:	ClSO2N3C11H20 (1)
Stoich.:	ABC2D3E11F20 (1)
Weight, g/mol:	424.94617
ΔH_f, kcal/mol:	-80.38
Dipole, Da:	9.2
IP(EA), eV:	-10.45(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-5-(3-iodophenyl)-1,2,4-triazole-3-sulfonyl chloride

Drug info:

PubChemData

Smile

CC(C)(C)CC1=NN=C(N1C(C)(C)C)S(=O)(=O)Cl

DOS

IR

Vibrations