Geometry & MOs

Info

ID:	227151
PubChem CID:	87560355
Reduced:	SN4O5C10H16 (1)
Stoich.:	AB4C5D10E16 (1)
Weight, g/mol:	384.090861
ΔH_f, kcal/mol:	-173.31
Dipole, Da:	5.21
IP(EA), eV:	-10.17(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,5R,6S)-6-methyl-2-oxo-1-(2,2,2-trifluoroethyl)-5-(2,3,5-trifluorophenyl)piperidin-3-yl]carbamic acid

Drug info:

PubChemData

Smile

CS(=O)(=O)OCC1=NN(C=N1)C2CCN(CC2)C(=O)O

DOS

IR

Vibrations