Geometry & MOs

Info

ID:	81414
PubChem CID:	49854699
Reduced:	ON2C18H20 (1)
Stoich.:	AB2C18D20 (1)
Weight, g/mol:	521.069131
ΔH_f, kcal/mol:	19.81
Dipole, Da:	2.36
IP(EA), eV:	-7.98(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[4-[4-(4-chloropyrimidin-2-yl)piperazine-1-carbonyl]phenyl]-2-methoxybenzenesulfonamide

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)CC2=CNC3=C2C=C(C=C3)OC

DOS

IR

Vibrations