Geometry & MOs

Info

ID:	34404
PubChem CID:	7891161
Reduced:	S2N3O3H17C18 (1)
Stoich.:	A2B3C3D17E18 (1)
Weight, g/mol:	363.147058
ΔH_f, kcal/mol:	-20.83
Dipole, Da:	2.41
IP(EA), eV:	-8.43(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(2-propan-2-ylanilino)ethyl] 1-hydroxynaphthalene-2-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC2=NN=C(S2)SCC(=O)C3=CC(=C(C=C3)O)O

DOS

IR

Vibrations