Geometry & MOs

Info

ID:	433377
PubChem CID:	135173514
Reduced:	SF3O3N5H16C18 (1)
Stoich.:	AB3C3D5E16F18 (1)
Weight, g/mol:	186.153227
ΔH_f, kcal/mol:	-171.48
Dipole, Da:	4.26
IP(EA), eV:	-8.64(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-fluoro-1-methyl-2-(1-methylpyrrolidin-2-yl)pyrrolidine

Drug info:

PubChemData

Smile

C1CN(C[C@@H]1F)S(=O)(=O)NC2=C(C(=C(C=C2)F)C(=O)C3=CNC4=C3C=C(C=N4)N)F

DOS

IR

Vibrations