Geometry & MOs

Info

ID:

16496

PubChem CID:

471216

Reduced:

N5O5C33H41 (1)

Stoich.:

A5B5C33D41 (1)

Weight, g/mol:

587.310769

ΔHf, kcal/mol:

-194.51

Dipole, Da:

5.21

IP(EA), eV:

 -9.33(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-(benzylcarbamoylamino)-N-[(2S,3R)-4-[2-(tert-butylcarbamoyl)phenyl]-3-hydroxy-1-phenylbutan-2-yl]butanediamide

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](CC(=O)N)NC(=O)NCC3=CC=CC=C3)O

DOS

IR

Vibrations