Geometry & MOs

Info

ID:

215120

PubChem CID:

85084186

Reduced:

F2N3O9C37H39 (1)

Stoich.:

A2B3C9D37E39 (1)

Weight, g/mol:

707.297167

ΔHf, kcal/mol:

-384.49

Dipole, Da:

7.04

IP(EA), eV:

 -9.6(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 5-diphenylphosphoryloxy-3-[2-[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoylamino]-4-oxopentanoate

Drug info:

PubChemData

Smile

CCCC(C(C(=O)ONC(=O)C(CC1=CC=CC=C1)NC(=O)C2=C(C=C(C=C2)F)F)OC(=O)C)C(=O)N3CCCC3C(=O)OCC4=CC=CC=C4

DOS

IR

Vibrations