Geometry & MOs

Info

ID:	63412
PubChem CID:	26758276
Reduced:	ClSO3N5C24H24 (1)
Stoich.:	ABC3D5E24F24 (1)
Weight, g/mol:	497.128838
ΔH_f, kcal/mol:	-6.87
Dipole, Da:	6.05
IP(EA), eV:	-9.06(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chlorophenyl)-N-prop-2-enyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide

Drug info:

PubChemData

Smile

C=CCN(C1=CC=CC=C1Cl)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4

DOS

IR

Vibrations