Geometry & MOs

Info

ID:	348585
PubChem CID:	127273696
Reduced:	SO2N3C16H21 (1)
Stoich.:	AB2C3D16E21 (1)
Weight, g/mol:	322.121195
ΔH_f, kcal/mol:	-8.99
Dipole, Da:	9.19
IP(EA), eV:	-9.29(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-pyridin-3-ylsulfonyl-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine

Drug info:

PubChemData

Smile

CC(C1CC1)N(CC2=NS(=O)(=O)C3=CC=CC=C3N2)C4CC4

DOS

IR

Vibrations