Geometry & MOs

Info

ID:

322402

PubChem CID:

126670022

Reduced:

N2O3C30H32 (1)

Stoich.:

A2B3C30D32 (1)

Weight, g/mol:

447.189317

ΔHf, kcal/mol:

-61.25

Dipole, Da:

5.41

IP(EA), eV:

 -8.75(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3R,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (4-nitrophenyl) carbonate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NC(=CC3=CC=CC=C32)C(C)N[C@H](C)C4=CC(=CC=C4)OC)CCC(=O)O

DOS

IR

Vibrations