Geometry & MOs

Info

ID:	314782
PubChem CID:	126623063
Reduced:	ClFO2N4C13H14 (1)
Stoich.:	ABC2D4E13F14 (1)
Weight, g/mol:	636.12444
ΔH_f, kcal/mol:	-93.38
Dipole, Da:	5.04
IP(EA), eV:	-9.46(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-acetamido-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromopyridin-2-yl)-3-fluoropyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1[C@H](CN[C@@H]1C(=O)NC2=CC=CC(=N2)C3=NC=CO3)F.Cl

DOS

IR

Vibrations