Geometry & MOs

Info

ID:	341020
PubChem CID:	127263455
Reduced:	OSF3N4C9H11 (1)
Stoich.:	ABC3D4E9F11 (1)
Weight, g/mol:	298.071131
ΔH_f, kcal/mol:	-152.73
Dipole, Da:	4.5
IP(EA), eV:	-9.57(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[1-(2,2,2-trifluoroacetyl)piperidine-3-carbonyl]amino]thiourea

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C(F)(F)F)C2=NN=C(S2)N

DOS

IR

Vibrations