Geometry & MOs

Info

ID:	426792
PubChem CID:	135153893
Reduced:	ClOSN3C10H10 (1)
Stoich.:	ABCD3E10F10 (1)
Weight, g/mol:	431.07322
ΔH_f, kcal/mol:	11.92
Dipole, Da:	1.98
IP(EA), eV:	-9.43(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-bromo-3-(5-methylfuran-2-yl)-1-benzofuran-2-yl]-1-(4-hydroxypiperidin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)NC(=O)C2=NC=CS2)Cl.N

DOS

IR

Vibrations