Geometry & MOs

Info

ID:	296916
PubChem CID:	117600519
Reduced:	N2S2F3O5H11C13 (1)
Stoich.:	A2B2C3D5E11F13 (1)
Weight, g/mol:	367.155036
ΔH_f, kcal/mol:	-302.5
Dipole, Da:	9.07
IP(EA), eV:	-10.02(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-tert-butyl 3-O-ethyl (3R,4S)-4-(4-chlorophenyl)piperidine-1,3-dicarboxylate

Drug info:

PubChemData

Smile

CC1=CN=C(S1)C(CC(=O)O)C2=NC(=CC=C2)OS(=O)(=O)C(F)(F)F

DOS

IR

Vibrations