Geometry & MOs

Info

ID:	283896
PubChem CID:	104018411
Reduced:	ClSN3O3C11H18 (1)
Stoich.:	ABC3D3E11F18 (1)
Weight, g/mol:	325.065176
ΔH_f, kcal/mol:	-99.09
Dipole, Da:	7.68
IP(EA), eV:	-10.61(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CCCC1)C2=NN=C(N2CCOC)S(=O)(=O)Cl

DOS

IR

Vibrations