Geometry & MOs

Info

ID:	41356
PubChem CID:	8145715
Reduced:	FO3N4C21H27 (1)
Stoich.:	AB3C4D21E27 (1)
Weight, g/mol:	415.1604
ΔH_f, kcal/mol:	-143.13
Dipole, Da:	2.76
IP(EA), eV:	-8.67(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1CCCC[C@@H]1N2C(=O)C(=O)N(C2=O)CN3CCN(CC3)C4=CC=C(C=C4)F

DOS

IR

Vibrations