Geometry & MOs

Info

ID:

16424

PubChem CID:

468387

Reduced:

N3O6C32H39 (1)

Stoich.:

A3B6C32D39 (1)

Weight, g/mol:

561.283886

ΔHf, kcal/mol:

-238.71

Dipole, Da:

6.12

IP(EA), eV:

 -9.48(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)C1=CC=CC=C1C[C@H]([C@H](CC2=CC=CC=C2)NC(=O)[C@H](CO)NC(=O)OCC3=CC=CC=C3)O

DOS

IR

Vibrations