Geometry & MOs

Info

ID:

307853

PubChem CID:

125309953

Reduced:

ClN2S2O3H11C12 (1)

Stoich.:

AB2C2D3E11F12 (1)

Weight, g/mol:

774.214661

ΔHf, kcal/mol:

-71.58

Dipole, Da:

7.33

IP(EA), eV:

 -9.57(-1.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2,3,4,5,6-pentafluorophenyl) (2R)-5-[[amino-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]methylidene]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoate

Drug info:

PubChemData

Smile

CC1=NC(=NC(=O)CS(=O)(=O)C2=CC=C(C=C2)Cl)SC1

DOS

IR

Vibrations