Geometry & MOs

Info

ID:

314872

PubChem CID:

126623854

Reduced:

FO3N7C30H30 (1)

Stoich.:

AB3C7D30E30 (1)

Weight, g/mol:

463.176816

ΔHf, kcal/mol:

-55.72

Dipole, Da:

10.91

IP(EA), eV:

 -8.83(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(2R,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]-N-cyanoacetamide

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)C[C@H]([C@H]2C[C@H](CN2C(=O)CN3C=C(C4=C3C=CC(=C4)C5=CN6C(=CC(=N6)C)N=C5)C(=O)N)F)O

DOS

IR

Vibrations