Geometry & MOs

Info

ID:	305316
PubChem CID:	124767990
Reduced:	N2O2S2F3C19H21 (1)
Stoich.:	A2B2C2D3E19F21 (1)
Weight, g/mol:	430.099655
ΔH_f, kcal/mol:	-222.27
Dipole, Da:	6.75
IP(EA), eV:	-8.9(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-2,5-dioxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl] (3S,5R)-3,5-dimethylpiperidine-1-carbodithioate

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H](CN(C1)C(=S)S[C@H]2CC(=O)N(C2=O)C3=CC=CC(=C3)C(F)(F)F)C

DOS

IR

Vibrations