Geometry & MOs

Info

ID:	9569
PubChem CID:	91046
Reduced:	ClSN2C26H29 (1)
Stoich.:	ABC2D26E29 (1)
Weight, g/mol:	436.173998
ΔH_f, kcal/mol:	57.46
Dipole, Da:	2.7
IP(EA), eV:	-8.25(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2CCN(CC2)CCSC(C3=CC=CC=C3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations