Geometry & MOs

Info

ID:	168047
PubChem CID:	74916367
Reduced:	NO3C18H23 (1)
Stoich.:	AB3C18D23 (1)
Weight, g/mol:	479.105499
ΔH_f, kcal/mol:	-105.01
Dipole, Da:	3.64
IP(EA), eV:	-8.46(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloro-2-methylphenyl)-3-[3-(4-chlorophenyl)-6-ethoxy-1-benzofuran-5-yl]but-2-enamide

Drug info:

PubChemData

Smile

CCNC(=O)C=C(C)C1=C(C=C2C(=C1)C(=C(O2)C)C)OCC

DOS

IR

Vibrations