Geometry & MOs

Info

ID:	314766
PubChem CID:	126623033
Reduced:	F3O3N4C12H13 (1)
Stoich.:	A3B3C4D12E13 (1)
Weight, g/mol:	625.10846
ΔH_f, kcal/mol:	-219.11
Dipole, Da:	4.3
IP(EA), eV:	-9.03(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R)-1-[2-[3-acetyl-5-(2-methoxypyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-4-methoxypyridin-2-yl)-4-fluoropyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1[C@H]2[C@@H]1[C@H](N(C2)C(=O)O)C(=O)NC3=NN(C=C3)CC(F)(F)F

DOS

IR

Vibrations