Geometry & MOs

Info

ID:	49803
PubChem CID:	11533847
Reduced:	SN4O5C27H38 (1)
Stoich.:	AB4C5D27E38 (1)
Weight, g/mol:	529.176471
ΔH_f, kcal/mol:	-207.43
Dipole, Da:	6.88
IP(EA), eV:	-8.67(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-O-methyl 1-O-(2,2,2-trichloroethyl) (2S,3R,5R,6S)-5-ethyl-6-[3-(oxan-2-yloxy)propyl]-3-propylpiperidine-1,2-dicarboxylate

Drug info:

PubChemData

Smile

CC(C)N1C2=CC=CC=C2C=C(C1=O)C(=O)NCC3C[C@H]4CC[C@@H](C3)N4CC(CN5CCCS5(=O)=O)O

DOS

IR

Vibrations