Geometry & MOs

Info

ID:	168088
PubChem CID:	74922577
Reduced:	NCl2O3H23C27 (1)
Stoich.:	AB2C3D23E27 (1)
Weight, g/mol:	479.105499
ΔH_f, kcal/mol:	-55.23
Dipole, Da:	2.85
IP(EA), eV:	-8.88(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,5-dichlorophenyl)-3-(6-ethoxy-7-methyl-3-phenyl-1-benzofuran-5-yl)but-2-enamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C2C(=COC2=C1C)C3=CC=CC=C3)C(=CC(=O)NC4=C(C=C(C=C4)Cl)Cl)C

DOS

IR

Vibrations