Geometry & MOs

Info

ID:

47295

PubChem CID:

10531287

Reduced:

N3O8C31H37 (1)

Stoich.:

A3B8C31D37 (1)

Weight, g/mol:

579.236936

ΔHf, kcal/mol:

-179.24

Dipole, Da:

4.97

IP(EA), eV:

 -8.1(-0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R)-2-[(3S,4S)-4-(1-benzylindol-3-yl)-2,6-dioxo-3-(prop-2-enoxycarbonylamino)piperidin-1-yl]-2-phenylethyl] acetate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CO[C@@H]2[C@H]([C@@H]([C@H]([C@@H]2N=[N+]=[N-])O)OCC3=CC(=C(C=C3)OC)OC)COCC4=CC=CC=C4)OC

DOS

IR

Vibrations