Geometry & MOs

Info

ID:	34377
PubChem CID:	7891015
Reduced:	SN2O5H16C20 (1)
Stoich.:	AB2C5D16E20 (1)
Weight, g/mol:	365.126323
ΔH_f, kcal/mol:	-132.46
Dipole, Da:	5.58
IP(EA), eV:	-8.8(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl] 1-hydroxynaphthalene-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=C(C3=CC=CC=C3C=C2)O

DOS

IR

Vibrations