Geometry & MOs

Info

ID:	430179
PubChem CID:	135170242
Reduced:	S2O3F5N5H18C19 (1)
Stoich.:	A2B3C5D5E18F19 (1)
Weight, g/mol:	381.279156
ΔH_f, kcal/mol:	-194.54
Dipole, Da:	7.36
IP(EA), eV:	-9.8(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[4-[(2R)-2-(2-fluoroethyl)pyrrolidin-1-yl]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate

Drug info:

PubChemData

Smile

C#C/C=C/C1[C@H]2CN(C[C@H]2CN1S(=O)(=O)C3=CC(=CC=C3)S(F)(F)(F)(F)F)C(=O)C4=NNN=C4

DOS

IR

Vibrations