Geometry & MOs

Info

ID:	168090
PubChem CID:	74922731
Reduced:	NCl2O3H25C28 (1)
Stoich.:	AB2C3D25E28 (1)
Weight, g/mol:	477.175165
ΔH_f, kcal/mol:	-58.33
Dipole, Da:	3.75
IP(EA), eV:	-8.77(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C=C2C(=COC2=C1C)C3=CC=C(C=C3)Cl)C(=CC(=O)NCC4=CC=CC=C4Cl)C

DOS

IR

Vibrations