Geometry & MOs

Info

ID:

215140

PubChem CID:

85084241

Reduced:

PSCl2N4O7C32H35 (1)

Stoich.:

ABC2D4E7F32G35 (1)

Weight, g/mol:

721.287665

ΔHf, kcal/mol:

-276.89

Dipole, Da:

3.34

IP(EA), eV:

 -8.65(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[3-[[2-[[4-amino-1-(3-naphthalen-1-ylpropylamino)-1,4-dioxobutan-2-yl]carbamoyl]cyclohexyl]amino]-2-(oxaldehydoylamino)-3-oxopropyl]phenyl]methylphosphonic acid

Drug info:

PubChemData

Smile

CC(C)C1=C(N(C(=N1)COC(=O)N)CC2=CC=C(C=C2)OCP(=O)(NC(C)C(=O)OC)OC3=CC=CC=C3)SC4=CC(=CC(=C4)Cl)Cl

DOS

IR

Vibrations