Geometry & MOs

Info

ID:	224043
PubChem CID:	85337461
Reduced:	Mg2P2O11H16C17 (1)
Stoich.:	A2B2C11D16E17 (1)
Weight, g/mol:	506.10166
ΔH_f, kcal/mol:	-459.47
Dipole, Da:	25.47
IP(EA), eV:	-7.98(-3.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-bromo-2-methoxyphenyl)-N-[2-[4-(2,4-difluorobenzoyl)piperidin-1-yl]ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C=CC2=CC(=C(C(=C2)OP(=O)([O-])[O-])OC)OC)OP(=O)([O-])[O-].[Mg+2].[Mg+2]

DOS

IR

Vibrations