Geometry & MOs

Info

ID:	63653
PubChem CID:	26758881
Reduced:	N2O5H18C21 (1)
Stoich.:	A2B5C18D21 (1)
Weight, g/mol:	413.093309
ΔH_f, kcal/mol:	-145.63
Dipole, Da:	4.15
IP(EA), eV:	-8.94(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations