Geometry & MOs

Info

ID:	68705
PubChem CID:	46508938
Reduced:	N2S2O5C20H22 (1)
Stoich.:	A2B2C5D20E22 (1)
Weight, g/mol:	457.099537
ΔH_f, kcal/mol:	-130.84
Dipole, Da:	4.94
IP(EA), eV:	-9.18(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 4-[methyl(phenyl)sulfamoyl]benzoate

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)OCC2=C(OC(=N2)C3=CC=CS3)C

DOS

IR

Vibrations