Geometry & MOs

Info

ID:	283898
PubChem CID:	104018899
Reduced:	ClSO3N4C11H11 (1)
Stoich.:	ABC3D4E11F11 (1)
Weight, g/mol:	347.027745
ΔH_f, kcal/mol:	-15.69
Dipole, Da:	8.98
IP(EA), eV:	-9.94(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-tert-butylthiadiazol-5-yl)-4-cyclopropyl-1,2,4-triazole-3-sulfonyl chloride

Drug info:

PubChemData

Smile

COC1=C(C=CC=N1)C2=NN=C(N2C3CC3)S(=O)(=O)Cl

DOS

IR

Vibrations