Geometry & MOs

Info

ID:	168040
PubChem CID:	74915125
Reduced:	NO5C24H27 (1)
Stoich.:	AB5C24D27 (1)
Weight, g/mol:	484.145678
ΔH_f, kcal/mol:	-135.52
Dipole, Da:	5.53
IP(EA), eV:	-8.49(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-methoxy-3-(2-methoxyphenyl)-1-benzofuran-5-yl]-N-(2-methyl-1,3-benzothiazol-5-yl)but-2-enamide

Drug info:

PubChemData

Smile

CC(=CC(=O)NCCCOC)C1=C(C=C2C(=C1)C(=CO2)C3=CC=CC=C3OC)OC

DOS

IR

Vibrations