Geometry & MOs

Info

ID:

314963

PubChem CID:

126624045

Reduced:

FO4N6C30H31 (1)

Stoich.:

AB4C6D30E31 (1)

Weight, g/mol:

597.09356

ΔHf, kcal/mol:

-123.61

Dipole, Da:

8.15

IP(EA), eV:

 -8.75(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,4R)-1-[2-[3-acetyl-5-[(5-fluoropyridin-3-yl)amino]indazol-1-yl]acetyl]-N-(6-bromopyridin-2-yl)-4-fluoropyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)NC(=O)[C@@H]2CCC(CCN2C(=O)CN3C=C(C4=C3C=CC(=C4)C5=CN=C(C=C5)OC)C(=O)N)F

DOS

IR

Vibrations