Geometry & MOs

Info

ID:

314773

PubChem CID:

126623040

Reduced:

BrFO4N6H26C28 (1)

Stoich.:

ABC4D6E26F28 (1)

Weight, g/mol:

578.10773

ΔHf, kcal/mol:

-111.87

Dipole, Da:

11.18

IP(EA), eV:

 -8.63(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(3-bromophenyl)-4-fluoropyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=C(C=N1)C2=C(C=C3C(=C2)C(=CN3CC(=O)N4C[C@@H](C[C@H]4C(=O)NC5=NC(=CC=C5)Br)F)C(=O)C)OC

DOS

IR

Vibrations