Geometry & MOs

Info

ID:	36021
PubChem CID:	7980647
Reduced:	SN2O4H20C21 (1)
Stoich.:	AB2C4D20E21 (1)
Weight, g/mol:	334.084124
ΔH_f, kcal/mol:	-84.36
Dipole, Da:	6.17
IP(EA), eV:	-8.3(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1,3-benzodioxol-5-yl)-2-oxoethyl] naphthalene-2-carboxylate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)CNC(=O)C3=CC=CS3

DOS

IR

Vibrations