Geometry & MOs

Info

ID:

448388

PubChem CID:

135290582

Reduced:

N4O13C44H62 (1)

Stoich.:

A4B13C44D62 (1)

Weight, g/mol:

472.243418

ΔHf, kcal/mol:

-417.85

Dipole, Da:

6.29

IP(EA), eV:

 -7.81(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 4-[4-[3-(2,6-dioxopiperidin-3-yl)-4-methyl-5-oxo-1,2,4-triazolidin-3-yl]phenyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

C[C@H]1C=CC=C(C(=O)NC\2=C(C3=C(C4=C(C(=C3O)C)O[C@@](C4=O)(OC=C[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C(=O)/C2=C/NN5CCN(CC5)C)O)C.CO

DOS

IR

Vibrations