Geometry & MOs

Info

ID:	168052
PubChem CID:	74917439
Reduced:	FN3O3C30H30 (1)
Stoich.:	AB3C3D30E30 (1)
Weight, g/mol:	496.182064
ΔH_f, kcal/mol:	-65.46
Dipole, Da:	3.08
IP(EA), eV:	-8.85(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(2,4-dimethylphenyl)-6-ethoxy-1-benzofuran-5-yl]-N-(2-methyl-1,3-benzothiazol-5-yl)but-2-enamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C2C(=C1)OC=C2C3=CC=C(C=C3)F)C(=CC(=O)N4CCN(CC4)CC5=CN=CC=C5)C

DOS

IR

Vibrations