Geometry & MOs

Info

ID:	323304
PubChem CID:	126674073
Reduced:	OCl2F2N4C20H20 (1)
Stoich.:	AB2C2D4E20F20 (1)
Weight, g/mol:	423.187067
ΔH_f, kcal/mol:	-108.63
Dipole, Da:	7.44
IP(EA), eV:	-9.07(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-N-[(3S)-3-fluoropiperidin-4-yl]-1-[1-(2H-indazol-3-yl)ethyl]indole-3-carboxamide

Drug info:

PubChemData

Smile

C1CNC[C@@H](C1NC(=O)C2=CN(C3=C2C(=CC=C3)F)CC4=CC(=NC=C4)Cl)F.Cl

DOS

IR

Vibrations