Geometry & MOs

Info

ID:	138334
PubChem CID:	52350415
Reduced:	SO3N4C19H22 (1)
Stoich.:	AB3C4D19E22 (1)
Weight, g/mol:	389.120285
ΔH_f, kcal/mol:	-64.46
Dipole, Da:	2.98
IP(EA), eV:	-8.94(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(3-chlorophenyl)-5-[(1S)-1-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]ethyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

C1CN(CCN1CCC2=CC=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)N4

DOS

IR

Vibrations