Geometry & MOs

Info

ID:	138335
PubChem CID:	52350487
Reduced:	ClOSN4C19H22 (1)
Stoich.:	ABCD4E19F22 (1)
Weight, g/mol:	388.11246
ΔH_f, kcal/mol:	77.87
Dipole, Da:	5.28
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.924291
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C1=NN=C(O1)C2=CC(=CC=C2)Cl)N3CC[NH+](CC3)CC4=CSC=C4

DOS

IR

Vibrations