Geometry & MOs

Info

ID:

15941

PubChem CID:

455714

Reduced:

N3O6C36H41 (1)

Stoich.:

A3B6C36D41 (1)

Weight, g/mol:

611.299536

ΔHf, kcal/mol:

-184.0

Dipole, Da:

3.01

IP(EA), eV:

 -9.28(-0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-[(2S,3R)-3-hydroxy-4-[[(2R,3S)-2-hydroxy-4-phenyl-3-(phenylmethoxycarbonylamino)butyl]amino]-1-phenylbutan-2-yl]carbamate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C[C@@H]([C@@H](CNC[C@H]([C@H](CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)O)O)NC(=O)OCC4=CC=CC=C4

DOS

IR

Vibrations