Geometry & MOs

Info

ID:	324366
PubChem CID:	126677520
Reduced:	NSO7C20H31 (1)
Stoich.:	ABC7D20E31 (1)
Weight, g/mol:	351.204573
ΔH_f, kcal/mol:	-319.97
Dipole, Da:	4.51
IP(EA), eV:	-8.94(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3R,4S)-4-[4-(2-hydroxyethoxy)phenyl]-3-(hydroxymethyl)piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC[C@@H]([C@H](C1)COS(=O)(=O)C)C2=CC=C(C=C2)OCCO

DOS

IR

Vibrations