Geometry & MOs

Info

ID:	223689
PubChem CID:	85335423
Reduced:	ClPNa2O8C19H22 (1)
Stoich.:	ABC2D8E19F22 (1)
Weight, g/mol:	491.196883
ΔH_f, kcal/mol:	-450.49
Dipole, Da:	5.37
IP(EA), eV:	-8.21(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-[4-[4-(3-cyano-3-phenylprop-2-enoyl)piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

Drug info:

PubChemData

Smile

COC12CC3CC(C1)C4(C(C3)C2)C(OO4)(C5=CC(=C(C=C5)Cl)OP(=O)([O-])[O-])OC.[Na+].[Na+]

DOS

IR

Vibrations