Geometry & MOs

Info

ID:	441070
PubChem CID:	135232997
Reduced:	NPF6H6C8 (1)
Stoich.:	ABC6D6E8 (1)
Weight, g/mol:	693.08152
ΔH_f, kcal/mol:	-292.49
Dipole, Da:	5.75
IP(EA), eV:	-9.96(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(1S)-1-(2-chlorophenyl)-2-[(4-fluoro-4-iodocyclohexyl)amino]-2-oxoethyl]-N-(3-fluorophenyl)-5-oxo-1-pyrazin-2-ylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CPC1=CC(=NC(=C1)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations