Geometry & MOs

Info

ID:	9565
PubChem CID:	91038
Reduced:	SCl2N2C25H26 (1)
Stoich.:	AB2C2D25E26 (1)
Weight, g/mol:	456.119375
ΔH_f, kcal/mol:	56.17
Dipole, Da:	3.25
IP(EA), eV:	-8.47(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chlorophenyl)-4-[2-[(4-chlorophenyl)-phenylmethyl]sulfanylethyl]piperazine

Drug info:

PubChemData

Smile

C1CN(CCN1CCSC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4Cl

DOS

IR

Vibrations