Geometry & MOs

Info

ID:

59500

PubChem CID:

24875159

Reduced:

N2O2F3H14C15 (2)

Stoich.:

A2B2C3D14E15 (2)

Weight, g/mol:

487.151664

ΔHf, kcal/mol:

-427.42

Dipole, Da:

4.72

IP(EA), eV:

 -9.03(-1.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethane-1,2-dione

Drug info:

PubChemData

Smile

CC(C)N1C2=CC=CC=C2CC[C@H](C1=O)NC(=O)[C@@H](CC3=CC=CC=C3OC(F)(F)F)NC(=O)C4=CN=C(C=C4)C(F)(F)F

DOS

IR

Vibrations