Geometry & MOs

Info

ID:	9570
PubChem CID:	91048
Reduced:	ClSN3C24H26 (1)
Stoich.:	ABC3D24E26 (1)
Weight, g/mol:	423.153597
ΔH_f, kcal/mol:	71.18
Dipole, Da:	3.37
IP(EA), eV:	-8.45(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(4-chlorophenyl)-phenylmethyl]sulfanylethyl]-4-pyridin-2-ylpiperazine

Drug info:

PubChemData

Smile

C1CN(CCN1CCSC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C4=CC=CC=N4

DOS

IR

Vibrations