Geometry & MOs

Info

ID:

15881

PubChem CID:

454306

Reduced:

O5N7C35H41 (1)

Stoich.:

A5B7C35D41 (1)

Weight, g/mol:

639.316917

ΔHf, kcal/mol:

-148.9

Dipole, Da:

5.1

IP(EA), eV:

 -9.26(-1.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[(2S,3R)-4-[tert-butylcarbamoyl(pyridin-4-ylmethyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-(quinoline-2-carbonylamino)butanediamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)N(CC1=CC=NC=C1)C[C@H]([C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(=O)N)NC(=O)C3=NC4=CC=CC=C4C=C3)O

DOS

IR

Vibrations