Geometry & MOs

Info

ID:	260891
PubChem CID:	103208397
Reduced:	SN2O2F3C9H15 (1)
Stoich.:	AB2C2D3E9F15 (1)
Weight, g/mol:	280.105705
ΔH_f, kcal/mol:	-250.65
Dipole, Da:	7.11
IP(EA), eV:	-9.0(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(2,2-difluoroethoxy)propanoyl]piperidine-4-carbothioamide

Drug info:

PubChemData

Smile

C(CC(=S)N)CNC(=O)CCOCC(F)(F)F

DOS

IR

Vibrations