Geometry & MOs

Info

ID:

441087

PubChem CID:

135233037

Reduced:

ClFO2N3C20H21 (1)

Stoich.:

ABC2D3E20F21 (1)

Weight, g/mol:

755.00778

ΔHf, kcal/mol:

-53.2

Dipole, Da:

1.42

IP(EA), eV:

 -9.57(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(S)-3-[[(1S)-1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-[(2S)-1-(4-cyanopyridin-2-yl)-5-oxopyrrolidine-2-carbonyl]amino]-5-fluorobenzenesulfinyl iodide

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)C(C2=CC=CC=C2Cl)N(C3=CC(=CC=C3)F)N=O

DOS

IR

Vibrations