Geometry & MOs

Info

ID:	142647
PubChem CID:	53071552
Reduced:	ClSN4O4C22H23 (1)
Stoich.:	ABC4D4E22F23 (1)
Weight, g/mol:	474.112854
ΔH_f, kcal/mol:	-72.87
Dipole, Da:	9.45
IP(EA), eV:	-8.73(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]-6-(3-methoxyphenyl)pyrimidine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)S(=O)(=O)N2CCN(CC2)C3=NC=NC(=C3)C4=CC(=CC=C4)OC

DOS

IR

Vibrations