Geometry & MOs

Info

ID:	36033
PubChem CID:	7980668
Reduced:	ClNO4H18C21 (1)
Stoich.:	ABC4D18E21 (1)
Weight, g/mol:	346.084124
ΔH_f, kcal/mol:	-113.67
Dipole, Da:	8.81
IP(EA), eV:	-8.64(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7-hydroxy-2-oxochromen-4-yl)methyl naphthalene-2-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=C(C=CC(=C1)Cl)OC)OC(=O)C2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations