Geometry & MOs

Info

ID:	34391
PubChem CID:	7891059
Reduced:	ClOS2N4C19H19 (1)
Stoich.:	ABC2D4E19F19 (1)
Weight, g/mol:	409.152537
ΔH_f, kcal/mol:	34.15
Dipole, Da:	8.55
IP(EA), eV:	-8.57(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3,4-diethoxyanilino)-2-oxoethyl] 1-hydroxynaphthalene-2-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC2=NN=C(S2)SCC(=O)NC3=C(C=C(C=C3)Cl)C

DOS

IR

Vibrations