Geometry & MOs

Info

ID:

447309

PubChem CID:

135281893

Reduced:

FSO3N4C27H37 (1)

Stoich.:

ABC3D4E27F37 (1)

Weight, g/mol:

556.259817

ΔHf, kcal/mol:

-107.34

Dipole, Da:

2.62

IP(EA), eV:

 -8.18(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,4R)-2-N-[5-[1-amino-1-(3-cyanophenyl)-3-cyclopropylpropyl]-2-fluorophenyl]-1-N-(4-aminophenyl)-4-hydroxypyrrolidine-1,2-dicarboxamide

Drug info:

PubChemData

Smile

CC(C)(C)[S@@](=O)N[C@@](CCC1CC1)(C2=CC=NC=C2)C3=CC(=C(C=C3)F)NC(=O)[C@H]4C[C@H](CN4)OC

DOS

IR

Vibrations