Geometry & MOs

Info

ID:	447576
PubChem CID:	135283958
Reduced:	FN2S2O6H11C13 (1)
Stoich.:	AB2C2D6E11F13 (1)
Weight, g/mol:	337.205322
ΔH_f, kcal/mol:	-233.69
Dipole, Da:	3.02
IP(EA), eV:	-9.39(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2R,4R)-2-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C1COC2=CC(=C(C=C2[C@@H]1O)F)S(=O)(=O)N(C3=CSC=N3)C(=O)O

DOS

IR

Vibrations