Geometry & MOs

Info

ID:

16416

PubChem CID:

467749

Reduced:

N4O7C44H52 (1)

Stoich.:

A4B7C44D52 (1)

Weight, g/mol:

748.3836

ΔHf, kcal/mol:

-212.1

Dipole, Da:

10.08

IP(EA), eV:

 -9.37(-0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-[(2S)-3-methyl-1-[[(1S)-1-[(2S,3R)-3-[(1S)-1-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-2-phenylethyl]oxiran-2-yl]-2-phenylethyl]amino]-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H]2[C@H](O2)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](C(C)C)NC(=O)OCC4=CC=CC=C4)NC(=O)OCC5=CC=CC=C5

DOS

IR

Vibrations