Geometry & MOs

Info

ID:	138809
PubChem CID:	52428667
Reduced:	NSCl2O4H19C23 (1)
Stoich.:	ABC2D4E19F23 (1)
Weight, g/mol:	471.150429
ΔH_f, kcal/mol:	-103.43
Dipole, Da:	2.63
IP(EA), eV:	-8.75(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-benzamido-3-methylphenyl)sulfanylethyl 3-methoxynaphthalene-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)SCCOC(=O)COC3=CC=CC=C3Cl)Cl

DOS

IR

Vibrations