Geometry & MOs

Info

ID:	325257
PubChem CID:	126682323
Reduced:	ON3F4C12H13 (1)
Stoich.:	AB3C4D12E13 (1)
Weight, g/mol:	428.118162
ΔH_f, kcal/mol:	-171.66
Dipole, Da:	6.26
IP(EA), eV:	-10.1(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(2S,3R)-5,5,5-trifluoro-2-(2-fluorophenyl)-4-hydroxy-3-methylpentan-2-yl]carbamothioyl]benzamide

Drug info:

PubChemData

Smile

C[C@@H]([C@@H]([C@@](C)(C1=CC=CC=C1F)N=[N+]=[N-])O)C(F)(F)F

DOS

IR

Vibrations