Geometry & MOs

Info

ID:

304781

PubChem CID:

124766167

Reduced:

N2O7C27H32 (1)

Stoich.:

A2B7C27D32 (1)

Weight, g/mol:

557.94603

ΔHf, kcal/mol:

-233.18

Dipole, Da:

3.17

IP(EA), eV:

 -8.58(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@@]1([C@H]2[C@H]([C@H](N1)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)N(C2=O)C4=CC=C(C=C4)C)C(=O)OCC

DOS

IR

Vibrations