Geometry & MOs

Info

ID:

16394

PubChem CID:

466622

Reduced:

N3O3C18H25 (2)

Stoich.:

A3B3C18D25 (2)

Weight, g/mol:

662.379183

ΔHf, kcal/mol:

-247.42

Dipole, Da:

10.22

IP(EA), eV:

 -9.26(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-tert-butyl-N-[(2R,3S)-2-hydroxy-3-[[(2S)-3-hydroxy-2-(quinoxaline-2-carbonylamino)butanoyl]amino]-4-phenylbutyl]-N'-pentan-3-ylbutanediamide

Drug info:

PubChemData

Smile

CCC(CC)NC(=O)C[C@@H](C(=O)NC[C@H]([C@H](CC1=CC=CC=C1)NC(=O)[C@H](C(C)O)NC(=O)C2=NC3=CC=CC=C3N=C2)O)C(C)(C)C

DOS

IR

Vibrations