Geometry & MOs

Info

ID:	142648
PubChem CID:	53071553
Reduced:	ClSN4O4C22H23 (1)
Stoich.:	ABC4D4E22F23 (1)
Weight, g/mol:	466.203862
ΔH_f, kcal/mol:	-73.46
Dipole, Da:	6.21
IP(EA), eV:	-8.88(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-methoxyphenyl)-6-[4-[4-(2-methylpropyl)phenyl]sulfonylpiperazin-1-yl]pyrimidine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations