Geometry & MOs

Info

ID:	266180
PubChem CID:	103558703
Reduced:	ClSN3O3C8H12 (1)
Stoich.:	ABC3D3E8F12 (1)
Weight, g/mol:	321.09139
ΔH_f, kcal/mol:	-74.26
Dipole, Da:	9.06
IP(EA), eV:	-10.43(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-5-[(1-methoxycyclobutyl)methyl]-1,2,4-triazole-3-sulfonyl chloride

Drug info:

PubChemData

Smile

COC1(CCC1)CC2=NC(=NN2)S(=O)(=O)Cl

DOS

IR

Vibrations