Geometry & MOs

Info

ID:

16993

PubChem CID:

481813

Reduced:

N3O6C33H43 (1)

Stoich.:

A3B6C33D43 (1)

Weight, g/mol:

577.315186

ΔHf, kcal/mol:

-228.38

Dipole, Da:

3.94

IP(EA), eV:

 -9.11(0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-[(2S,3R)-3-hydroxy-4-[[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]amino]-1-phenylbutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)[C@@H](CNC[C@H]([C@H](CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)O)O

DOS

IR

Vibrations