Geometry & MOs

Info

ID:	145306
PubChem CID:	53495430
Reduced:	SO3H20C21 (1)
Stoich.:	AB3C20D21 (1)
Weight, g/mol:	389.103
ΔH_f, kcal/mol:	-11.0
Dipole, Da:	1.31
IP(EA), eV:	-8.48(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 3-anilino-5-chloro-3H-1-benzofuran-2,2-dicarboxylate

Drug info:

PubChemData

Smile

C1CCC(C1)OC(C#CSC2=CC=CC=C2)C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations