Geometry & MOs

Info

ID:	63431
PubChem CID:	26758329
Reduced:	SO4N5C25H27 (1)
Stoich.:	AB4C5D25E27 (1)
Weight, g/mol:	471.113188
ΔH_f, kcal/mol:	-67.68
Dipole, Da:	4.83
IP(EA), eV:	-8.34(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-2-chloro-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=NC=CC=N3)S(=O)(=O)N4CCCC5=CC=CC=C54

DOS

IR

Vibrations