Geometry & MOs

Info

ID:

16393

PubChem CID:

466617

Reduced:

N5O5C38H53 (1)

Stoich.:

A5B5C38D53 (1)

Weight, g/mol:

659.40467

ΔHf, kcal/mol:

-226.17

Dipole, Da:

4.76

IP(EA), eV:

 -9.32(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-tert-butyl-N-[(2R,3S)-2-hydroxy-3-[[(2S)-3-methyl-2-(quinoline-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)C)NC(=O)C2=NC3=CC=CC=C3C=C2)O)C(C)(C)C

DOS

IR

Vibrations