Geometry & MOs

Info

ID:	168035
PubChem CID:	74914789
Reduced:	NF3O5H22C27 (1)
Stoich.:	AB3C5D22E27 (1)
Weight, g/mol:	480.204907
ΔH_f, kcal/mol:	-266.37
Dipole, Da:	5.91
IP(EA), eV:	-8.71(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=CC(=O)NC1=CC=C(C=C1)OC(F)(F)F)C2=C(C=C3C(=C2)C(=CO3)C4=CC=C(C=C4)OC)OC

DOS

IR

Vibrations