Geometry & MOs

Info

ID:

441073

PubChem CID:

135233006

Reduced:

ClO2F3N7H25C29 (1)

Stoich.:

AB2C3D7E25F29 (1)

Weight, g/mol:

652.226404

ΔHf, kcal/mol:

-93.7

Dipole, Da:

7.51

IP(EA), eV:

 -9.41(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(1S)-1-(2-chlorophenyl)-4-(3,3-difluorocyclobutyl)-2-oxobutyl]-2-[(2S)-1-(4-cyanopyridin-2-yl)-5-hydroxypyrrolidin-2-yl]-N-[3-(2-hydroxyethoxy)phenyl]acetamide

Drug info:

PubChemData

Smile

C1CC(=N)N([C@@H]1C(=O)N(CC2=CC(=CN=C2)F)[C@@H](C3=CC=CC=C3Cl)C(=O)NC4CC(C4)(F)F)C5=NC=CC(=C5)C#N

DOS

IR

Vibrations