Geometry & MOs

Info

ID:	34399
PubChem CID:	7891115
Reduced:	O2S2N3C15H19 (1)
Stoich.:	A2B2C3D15E19 (1)
Weight, g/mol:	349.131408
ΔH_f, kcal/mol:	-29.33
Dipole, Da:	2.56
IP(EA), eV:	-8.44(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,6-dimethylanilino)-2-oxoethyl] 1-hydroxynaphthalene-2-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC2=NN=C(S2)SCC(=O)OC(C)C

DOS

IR

Vibrations