Geometry & MOs

Info

ID:

412001

PubChem CID:

135084864

Reduced:

P2O3N4H50C53 (1)

Stoich.:

A2B3C4D50E53 (1)

Weight, g/mol:

675.380109

ΔHf, kcal/mol:

141.56

Dipole, Da:

5.69

IP(EA), eV:

 -3.35(-1.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2S,3R)-1-[[(2R,3S)-1-(butylamino)-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]-2-diphenylphosphanylbenzamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC3=C(P2C4=CC(=CC5=C4OC6=C(C5(C)C)C=C(C=C6P7C8=C(C=CC(=C8)C)OC9=C7C=C(C=C9)C)CN1C=C[N+](=C1)C)CN1C=C[N+](=C1)C)C=C(C=C3)C

DOS

IR

Vibrations