Geometry & MOs

Info

ID:	40523
PubChem CID:	8144270
Reduced:	SO2N4C21H25 (1)
Stoich.:	AB2C4D21E25 (1)
Weight, g/mol:	396.161997
ΔH_f, kcal/mol:	52.96
Dipole, Da:	5.7
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.825958
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-methoxyphenyl)methyl]-3-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-oxadiazole-2-thione

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC2=NN(C(=S)O2)C[NH+]3CCN(CC3)C4=CC=CC=C4

DOS

IR

Vibrations