Geometry & MOs

Info

ID:

127822

PubChem CID:

51017910

Reduced:

N3O10C35H49 (1)

Stoich.:

A3B10C35D49 (1)

Weight, g/mol:

470.95038

ΔHf, kcal/mol:

-144.86

Dipole, Da:

5.23

IP(EA), eV:

 -7.6(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl 2-[(1R,2S,6S,7S,8R,9R)-8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]acetate

Drug info:

PubChemData

Smile

C[C@]12CC[C@H](C1(C)C)CC23O[C@H]4[C@@H]([C@H]([C@@H]([C@H]([C@H]4O3)O)O[C@H]5[C@H]([C@@H]([C@@H]([C@@H](O5)COCC=C)OCC=C)OCC6=CC=CC=C6)N=[N+]=[N-])O)O

DOS

IR

Vibrations