Geometry & MOs

Info

ID:	314809
PubChem CID:	126623365
Reduced:	ClON2C6H11 (1)
Stoich.:	ABC2D6E11 (1)
Weight, g/mol:	609.11354
ΔH_f, kcal/mol:	-59.42
Dipole, Da:	5.27
IP(EA), eV:	-9.84(0.26)
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-(bromomethyl)pyridin-2-yl]-4-fluoropyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1C(CN2C1C2)C(=O)N.Cl

DOS

IR

Vibrations