Geometry & MOs

Info

ID:

59577

PubChem CID:

24875330

Reduced:

ClFO3N4C25H28 (1)

Stoich.:

ABC3D4E25F28 (1)

Weight, g/mol:

740.275897

ΔHf, kcal/mol:

-98.65

Dipole, Da:

5.25

IP(EA), eV:

 -8.68(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,4R)-N-[(3S)-7-amino-1,2-dioxo-1-(pyridin-4-ylmethylamino)heptan-3-yl]-4-[(4-chlorophenyl)methoxy]-1-[(2R)-2-(methanesulfonamido)-4-phenylbutanoyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)N=CN=C2NC3=C(C(=CC=C3)Cl)F)OC4CCC(CC4)N5CCOCC5

DOS

IR

Vibrations