Geometry & MOs

Info

ID:

168668

PubChem CID:

74999985

Reduced:

ClPF3N4O17C43H61 (1)

Stoich.:

ABC3D4E17F43G61 (1)

Weight, g/mol:

557.230805

ΔHf, kcal/mol:

-988.4

Dipole, Da:

4.31

IP(EA), eV:

 -9.45(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(2-methylsulfonylethenylamino)-N-[1-(morpholin-4-ylcarbamoylamino)-1-oxo-3-phenylpropan-2-yl]-4-phenylbutanamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCOC(COP(=O)(O)OC1C(C(C(C(O1)C(=O)N)OC)NC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F)OC3C(C(C(C(O3)CO)O)O)NC(=O)C4=CC=CC=C4)C(=O)O

DOS

IR

Vibrations