Geometry & MOs

Info

ID:	446122
PubChem CID:	135272520
Reduced:	PSCl2N5O5C23H28 (1)
Stoich.:	ABC2D5E5F23G28 (1)
Weight, g/mol:	426.166822
ΔH_f, kcal/mol:	-142.34
Dipole, Da:	7.77
IP(EA), eV:	-8.36(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-N'-[1-oxo-1-[(1-oxo-1-phosphanylpropan-2-yl)amino]propan-2-yl]hexanediamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1Cl)C2=CC3=CN=C(N=C3N(C2=O)CCCN4CCN(CC4)P)S(=O)(=O)C)Cl)OC

DOS

IR

Vibrations