Geometry & MOs

Info

ID:	168055
PubChem CID:	74917979
Reduced:	NO4H27C28 (1)
Stoich.:	AB4C27D28 (1)
Weight, g/mol:	494.220557
ΔH_f, kcal/mol:	-80.13
Dipole, Da:	4.81
IP(EA), eV:	-8.29(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-ethoxy-3-(4-methoxyphenyl)-1-benzofuran-5-yl]-N-[2-(1H-indol-3-yl)ethyl]but-2-enamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C2C(=C1)OC=C2C3=CC=C(C=C3)OC)C(=CC(=O)NC4=CC=C(C=C4)C)C

DOS

IR

Vibrations