Geometry & MOs

Info

ID:	63437
PubChem CID:	26758346
Reduced:	SO4N5C22H23 (1)
Stoich.:	AB4C5D22E23 (1)
Weight, g/mol:	453.147075
ΔH_f, kcal/mol:	-55.74
Dipole, Da:	6.21
IP(EA), eV:	-8.49(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methoxyphenyl)-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1NS(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4

DOS

IR

Vibrations