Geometry & MOs

Info

ID:	280512
PubChem CID:	103849677
Reduced:	SO2N3C10H15 (1)
Stoich.:	AB2C3D10E15 (1)
Weight, g/mol:	341.9899
ΔH_f, kcal/mol:	-33.77
Dipole, Da:	2.11
IP(EA), eV:	-9.99(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-tert-butylsulfonylethyl)-4-iodopyrazole

Drug info:

PubChemData

Smile

CC(C)(C)S(=O)(=O)CCN1C=CN=C1C#N

DOS

IR

Vibrations