Geometry & MOs

Info

ID:	283899
PubChem CID:	104019002
Reduced:	ClO2S2N5C11H14 (1)
Stoich.:	AB2C2D5E11F14 (1)
Weight, g/mol:	293.096476
ΔH_f, kcal/mol:	30.15
Dipole, Da:	4.93
IP(EA), eV:	-10.27(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C1=C(SN=N1)C2=NN=C(N2C3CC3)S(=O)(=O)Cl

DOS

IR

Vibrations