Geometry & MOs

Info

ID:	54254
PubChem CID:	16957213
Reduced:	ClON2C15H23 (1)
Stoich.:	ABC2D15E23 (1)
Weight, g/mol:	434.042268
ΔH_f, kcal/mol:	-44.99
Dipole, Da:	4.17
IP(EA), eV:	-8.84(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(3,4-dichlorophenyl)furan-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanethione

Drug info:

PubChemData

Smile

CCCCCCN1C2=CC=CC=C2N=C1COC.Cl

DOS

IR

Vibrations