Geometry & MOs

Info

ID:

160644

PubChem CID:

57389305

Reduced:

SN3O9C39H55 (1)

Stoich.:

AB3C9D39E55 (1)

Weight, g/mol:

472.203193

ΔHf, kcal/mol:

-441.29

Dipole, Da:

3.71

IP(EA), eV:

 -8.82(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 4-[5-[4-(methylsulfonylmethyl)phenyl]-2,3-dihydrofuro[2,3-c]pyridin-2-yl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C[C@H]([C@@H](C(=O)O)NC(=O)[C@H](CSC(C)(C)C)NC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)OC(C)(C)C

DOS

IR

Vibrations