Geometry & MOs

Info

ID:	63654
PubChem CID:	26758883
Reduced:	NSO6H19C21 (1)
Stoich.:	ABC6D19E21 (1)
Weight, g/mol:	413.093309
ΔH_f, kcal/mol:	-180.01
Dipole, Da:	10.97
IP(EA), eV:	-9.22(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-methylsulfonylanilino)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate

Drug info:

PubChemData

Smile

COC1=CC2=CC=CC=C2C=C1C(=O)OCC(=O)NC3=CC(=CC=C3)S(=O)(=O)C

DOS

IR

Vibrations