Geometry & MOs

Info

ID:

318987

PubChem CID:

126654060

Reduced:

BrFO3N9H21C24 (1)

Stoich.:

ABC3D9E21F24 (1)

Weight, g/mol:

619.10913

ΔHf, kcal/mol:

-36.85

Dipole, Da:

9.25

IP(EA), eV:

 -9.11(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[(2S,4R)-2-[(6-bromopyridin-2-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)indazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=C(C=N1)C2=NC=C3C(=C2)C(=NN3CC(=O)N4C[C@@H](C[C@H]4C(=O)NC5=NC(=CC=C5)Br)F)C(=O)N

DOS

IR

Vibrations