Geometry & MOs

Info

ID:

441049

PubChem CID:

135232876

Reduced:

O2N3C12H23 (1)

Stoich.:

A2B3C12D23 (1)

Weight, g/mol:

617.145295

ΔHf, kcal/mol:

-72.35

Dipole, Da:

3.08

IP(EA), eV:

 -8.83(0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)N1C[C@@H]2CN(C[C@@H]2C1)C(=O)ON(C)C

DOS

IR

Vibrations