Geometry & MOs

Info

ID:	41066
PubChem CID:	8145200
Reduced:	OS2N5C19H23 (1)
Stoich.:	AB2C5D19E23 (1)
Weight, g/mol:	396.161997
ΔH_f, kcal/mol:	83.21
Dipole, Da:	5.24
IP(EA), eV:	-8.42(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1N2CCN(CC2)CN3C(=S)N=C(N3)C4=CC=CS4

DOS

IR

Vibrations