Geometry & MOs

Info

ID:	305339
PubChem CID:	124768014
Reduced:	NF6O7C19H21 (1)
Stoich.:	AB6C7D19E21 (1)
Weight, g/mol:	489.122221
ΔH_f, kcal/mol:	-615.84
Dipole, Da:	5.53
IP(EA), eV:	-9.44(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl (2S,3R,5S,6S)-2,6-dihydroxy-4-(2-hydroxyphenyl)-2,6-bis(trifluoromethyl)piperidine-3,5-dicarboxylate

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1C([C@H]([C@](N[C@@]1(C(F)(F)F)O)(C(F)(F)F)O)C(=O)OCC)C2=CC=CC=C2O

DOS

IR

Vibrations