Geometry & MOs

Info

ID:

441050

PubChem CID:

135232877

Reduced:

ClF4O4N5H24C29 (1)

Stoich.:

AB4C4D5E24F29 (1)

Weight, g/mol:

627.186017

ΔHf, kcal/mol:

-258.36

Dipole, Da:

5.49

IP(EA), eV:

 -9.27(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,4S)-N-[(1S)-1-(2-chlorophenyl)-2-[(4,4-difluorocyclohexyl)amino]-2-oxoethyl]-1-(4-cyanopyridin-2-yl)-N-(3-fluorophenyl)-4,5-dihydroxypyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1[C@@H](C(N([C@@H]1C(=O)N(C2=CC(=CC(=C2)F)F)[C@@H](C3=CC=CC=C3Cl)C(=O)NC4CC(C4)(F)F)C5=NC=CC(=C5)C#N)O)O

DOS

IR

Vibrations