Geometry & MOs

Info

ID:

437374

PubChem CID:

135226183

Reduced:

ClSO4F5N5H21C28 (1)

Stoich.:

ABC4D5E5F21G28 (1)

Weight, g/mol:

543.208196

ΔHf, kcal/mol:

-316.66

Dipole, Da:

10.11

IP(EA), eV:

 -8.86(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,4R)-4-fluoro-N-[2-fluoro-3-(1H-indol-5-yl)phenyl]-1-[2-[3-(1-hydroxyethyl)indazol-1-yl]acetyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1[C@H](CC([C@@H]1C(=O)NC2=CC=CC(=C2F)C3=C(C=CC(=C3)C(=O)N)Cl)C(=O)CN4C5=C(C(=N4)C(=O)N)SC(=C5)C(F)(F)F)F

DOS

IR

Vibrations