Geometry & MOs

Info

ID:	192913
PubChem CID:	78324562
Reduced:	Br2O2H12C13 (1)
Stoich.:	A2B2C12D13 (1)
Weight, g/mol:	419.099143
ΔH_f, kcal/mol:	-52.34
Dipole, Da:	2.58
IP(EA), eV:	-9.37(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[4-[[2-(4-fluorophenyl)-6-hydroxy-1-benzothiophen-3-yl]oxy]phenyl]-N-methylprop-2-enamide

Drug info:

PubChemData

Smile

C1CCC(=O)/C(=C/C2=CC(=C(C(=C2)Br)O)Br)/C1

DOS

IR

Vibrations