Geometry & MOs

Info

ID:

141877

PubChem CID:

52944306

Reduced:

ON3Br4H27C32 (1)

Stoich.:

AB3C4D27E32 (1)

Weight, g/mol:

549.239434

ΔHf, kcal/mol:

116.72

Dipole, Da:

4.22

IP(EA), eV:

 -9.25(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3R)-N-[(2S)-1-[(2-chlorophenyl)methylamino]-1-oxo-4-phenylbutan-2-yl]-3-hydroxy-2-[3-(2-methylphenyl)propanoylamino]butanamide

Drug info:

PubChemData

Smile

CON=C1C2C(NC(C1C(NC2C3=CC(=CC=C3)Br)C4=CC(=CC=C4)Br)C5=CC(=CC=C5)Br)C6=CC(=CC=C6)Br

DOS

IR

Vibrations