Geometry & MOs

Info

ID:	81417
PubChem CID:	49854702
Reduced:	S2N4O4H24C25 (1)
Stoich.:	A2B4C4D24E25 (1)
Weight, g/mol:	475.088117
ΔH_f, kcal/mol:	-45.94
Dipole, Da:	1.62
IP(EA), eV:	-8.1(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[4-(4-chloropyrimidin-2-yl)piperazine-1-carbonyl]phenyl]-4-fluorobenzenesulfonamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC5=C(C=C4)N=CS5

DOS

IR

Vibrations