Geometry & MOs

Info

ID:	168087
PubChem CID:	74922537
Reduced:	N2O3H26C30 (1)
Stoich.:	A2B3C26D30 (1)
Weight, g/mol:	479.105499
ΔH_f, kcal/mol:	-9.51
Dipole, Da:	2.61
IP(EA), eV:	-8.66(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-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=CC5=C(C=C4)N=CC=C5)C

DOS

IR

Vibrations