Geometry & MOs

Info

ID:	168048
PubChem CID:	74916970
Reduced:	NCl2O3H23C27 (1)
Stoich.:	AB2C3D23E27 (1)
Weight, g/mol:	479.105499
ΔH_f, kcal/mol:	-59.92
Dipole, Da:	8.81
IP(EA), eV:	-8.71(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C=C2C(=C1)OC=C2C3=CC=C(C=C3)Cl)C(=CC(=O)NC4=C(C=CC(=C4)Cl)C)C

DOS

IR

Vibrations