Geometry & MOs

Info

ID:

318988

PubChem CID:

126654065

Reduced:

BrFO3N9H23C27 (1)

Stoich.:

ABC3D9E23F27 (1)

Weight, g/mol:

607.13428

ΔHf, kcal/mol:

-8.32

Dipole, Da:

5.58

IP(EA), eV:

 -9.0(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,4R)-1-[2-[3-acetyl-5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)indazol-1-yl]acetyl]-N-(6-bromopyridin-2-yl)-4-fluoropyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NN2C=C(C=NC2=C1)C3=CC4=C(C=C3)N(N=C4C(=O)N)CC(=O)N5C[C@@H](C[C@H]5C(=O)NC6=NC(=CC=C6)Br)F

DOS

IR

Vibrations