Geometry & MOs

Info

ID:	168078
PubChem CID:	74921120
Reduced:	ClFNO4H23C27 (1)
Stoich.:	ABCD4E23F27 (1)
Weight, g/mol:	489.170686
ΔH_f, kcal/mol:	-123.66
Dipole, Da:	4.4
IP(EA), eV:	-8.46(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C2C(=CC(=C1OC)C(=CC(=O)NC3=CC(=C(C=C3)F)Cl)C)C(=CO2)C4=CC=CC=C4OC

DOS

IR

Vibrations