Geometry & MOs

Info

ID:	168089
PubChem CID:	74922578
Reduced:	NCl2O3H23C27 (1)
Stoich.:	AB2C3D23E27 (1)
Weight, g/mol:	493.121149
ΔH_f, kcal/mol:	-57.14
Dipole, Da:	3.99
IP(EA), eV:	-8.94(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(4-chlorophenyl)-6-ethoxy-7-methyl-1-benzofuran-5-yl]-N-[(2-chlorophenyl)methyl]but-2-enamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations