Geometry & MOs

Info

ID:

311084

PubChem CID:

126589257

Reduced:

ClNF3O3H17C18 (1)

Stoich.:

ABC3D3E17F18 (1)

Weight, g/mol:

730.437761

ΔHf, kcal/mol:

-264.58

Dipole, Da:

5.74

IP(EA), eV:

 -9.16(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[[2-[[(2S)-1-[[2-[2-[(2-amino-2-oxoethyl)-methylamino]ethylamino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]-6-[5-hydroxy-3-(3-methylpentan-3-yl)-2-oxopyrrolidin-1-yl]hexanamide

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OCC2=C(C=CC=C2Cl)NC(=O)OC)C(F)(F)F

DOS

IR

Vibrations