Geometry & MOs

Info

ID:

146529

PubChem CID:

53700779

Reduced:

FN2S2O4H13C14 (1)

Stoich.:

AB2C2D4E13F14 (1)

Weight, g/mol:

728.426134

ΔHf, kcal/mol:

-151.65

Dipole, Da:

5.29

IP(EA), eV:

 -9.68(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[acetyl-[(2S)-2-amino-3-phenylpropanoyl]amino]-2-(5-cyano-2-oxo-1,3-dihydroindol-3-yl)-N-[(2S,3S)-1-cyclohexyl-3-hydroxy-5-(2-methylpropylamino)-5-oxopentan-2-yl]-4-methylpentanamide

Drug info:

PubChemData

Smile

C1C(=C(N2[C@@H](S1)C(C2=O)NC(=O)CC3=CC=CS3)C(=O)O)CF

DOS

IR

Vibrations