Geometry & MOs

Info

ID:	142646
PubChem CID:	53071526
Reduced:	BrSO2N4C21H21 (1)
Stoich.:	ABC2D4E21F21 (1)
Weight, g/mol:	474.112854
ΔH_f, kcal/mol:	11.52
Dipole, Da:	4.57
IP(EA), eV:	-8.9(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-(3-methoxyphenyl)pyrimidine

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=CC(=NC=N2)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Br

DOS

IR

Vibrations