Geometry & MOs

Info

ID:	9568
PubChem CID:	91045
Reduced:	ClSN2O4C28H31 (1)
Stoich.:	ABC2D4E28F31 (1)
Weight, g/mol:	526.169306
ΔH_f, kcal/mol:	-104.32
Dipole, Da:	1.9
IP(EA), eV:	-8.42(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations