Geometry & MOs

Info

ID:	314845
PubChem CID:	126623679
Reduced:	BrFO3N4C14H18 (1)
Stoich.:	ABC3D4E14F18 (1)
Weight, g/mol:	531.152511
ΔH_f, kcal/mol:	-153.93
Dipole, Da:	6.17
IP(EA), eV:	-9.39(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-acetyl-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoro-1-indol-1-yl-2-(2-phenylethynyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CN(C)CC1(CC(N(C1)C(=O)O)C(=O)NC2=NC(=CC=C2)Br)F

DOS

IR

Vibrations