Geometry & MOs

Info

ID:	217240
PubChem CID:	85087485
Reduced:	ClN3O3H16C17 (1)
Stoich.:	AB3C3D16E17 (1)
Weight, g/mol:	346.105253
ΔH_f, kcal/mol:	-45.61
Dipole, Da:	5.78
IP(EA), eV:	-9.04(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[8-(2-acetyloxypropan-2-yl)-2-oxo-8,9-dihydrofuro[2,3-h]chromen-9-yl] acetate

Drug info:

PubChemData

Smile

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)OC3=NN(C(=O)C=C3)C)Cl)C

DOS

IR

Vibrations