Geometry & MOs

Info

ID:	36084
PubChem CID:	7980745
Reduced:	NSO5H21C22 (1)
Stoich.:	ABC5D21E22 (1)
Weight, g/mol:	333.136493
ΔH_f, kcal/mol:	-136.61
Dipole, Da:	7.31
IP(EA), eV:	-9.25(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-ethylanilino)-2-oxoethyl] naphthalene-2-carboxylate

Drug info:

PubChemData

Smile

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)COC(=O)C3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations