Geometry & MOs

Info

ID:	168042
PubChem CID:	74915127
Reduced:	NO4C21H21 (1)
Stoich.:	AB4C21D21 (1)
Weight, g/mol:	471.168188
ΔH_f, kcal/mol:	-88.43
Dipole, Da:	4.29
IP(EA), eV:	-8.55(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-[6-methoxy-3-(2-methoxyphenyl)-1-benzofuran-5-yl]but-2-enoylamino]benzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations