Geometry & MOs

Info

ID:	321499
PubChem CID:	126666441
Reduced:	FSO2N4C20H21 (1)
Stoich.:	ABC2D4E20F21 (1)
Weight, g/mol:	217.107834
ΔH_f, kcal/mol:	-50.22
Dipole, Da:	4.84
IP(EA), eV:	-8.97(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4S)-2-(3,5-difluoro-1-methylcyclohexa-2,4-dien-1-yl)-4-fluoropyrrolidine

Drug info:

PubChemData

Smile

CN([C@H]1CCC[C@@H]1NC2=NC3=C(S2)C=C(C=C3)F)C(=O)C4=C(C=CC=N4)OC

DOS

IR

Vibrations