Geometry & MOs

Info

ID:	64719
PubChem CID:	29203904
Reduced:	FOSN4C23H25 (1)
Stoich.:	ABCD4E23F25 (1)
Weight, g/mol:	441.092533
ΔH_f, kcal/mol:	-0.98
Dipole, Da:	3.59
IP(EA), eV:	-8.54(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-methoxy-N-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=CC=C2)C)SCC(=O)N3CCN(CC3)C4=CC=CC=C4F

DOS

IR

Vibrations