Geometry & MOs

Info

ID:	139035
PubChem CID:	52462920
Reduced:	SN2O4C18H20 (1)
Stoich.:	AB2C4D18E20 (1)
Weight, g/mol:	327.110673
ΔH_f, kcal/mol:	-121.28
Dipole, Da:	5.21
IP(EA), eV:	-8.75(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-acetyl-4-amino-2-oxopent-3-enyl) 3-hydroxynaphthalene-2-carboxylate

Drug info:

PubChemData

Smile

C[C@H](C(=O)N[C@@H]1CCOC2=CC=CC=C12)NS(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations