Geometry & MOs

Info

ID:	34363
PubChem CID:	7890925
Reduced:	SN2O4H18C22 (1)
Stoich.:	AB2C4D18E22 (1)
Weight, g/mol:	356.137222
ΔH_f, kcal/mol:	-96.43
Dipole, Da:	3.6
IP(EA), eV:	-8.71(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 1-hydroxynaphthalene-2-carboxylate

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C(=C(S2)NC(=O)COC(=O)C3=C(C4=CC=CC=C4C=C3)O)C#N

DOS

IR

Vibrations