Geometry & MOs

Info

ID:	41384
PubChem CID:	8145769
Reduced:	N3O5C23H27 (1)
Stoich.:	A3B5C23D27 (1)
Weight, g/mol:	387.104635
ΔH_f, kcal/mol:	-135.79
Dipole, Da:	6.7
IP(EA), eV:	-8.47(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole-2-thione

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)[C@H]2CCCN2CC3=NC(=O)C4=CC(=C(C=C4N3)OC)OC)OC

DOS

IR

Vibrations