Geometry & MOs

Info

ID:	378154
PubChem CID:	134224228
Reduced:	FNO2C24H26 (1)
Stoich.:	ABC2D24E26 (1)
Weight, g/mol:	471.112742
ΔH_f, kcal/mol:	-88.96
Dipole, Da:	4.02
IP(EA), eV:	-8.43(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-butan-2-yl-2-(4-fluorophenyl)-3-[1-(methylamino)ethenyl]-1-benzofuran-5-yl] trifluoromethanesulfonate

Drug info:

PubChemData

Smile

C/C=C(\C)/C1=C(C=C2C(=C1)CC(=C2C(=O)NC)C3=CC=C(C=C3)F)OC(C)C

DOS

IR

Vibrations