Geometry & MOs

Info

ID:	46441
PubChem CID:	10524419
Reduced:	NCl2O3H17C20 (1)
Stoich.:	AB2C3D17E20 (1)
Weight, g/mol:	390.077324
ΔH_f, kcal/mol:	-72.3
Dipole, Da:	3.94
IP(EA), eV:	-8.82(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(3,4-dimethoxyphenyl)-5-oxo-2H-furan-3-yl] 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)OC(=C2)C3CC(=O)N(C3)CC4=CC(=C(C=C4)Cl)Cl

DOS

IR

Vibrations