Geometry & MOs

Info

ID:	81225
PubChem CID:	49854482
Reduced:	SN3O4H27C28 (1)
Stoich.:	AB3C4D27E28 (1)
Weight, g/mol:	499.15772
ΔH_f, kcal/mol:	-58.78
Dipole, Da:	9.73
IP(EA), eV:	-8.13(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-2-methoxy-N-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4

DOS

IR

Vibrations