Geometry & MOs

Info

ID:

318839

PubChem CID:

126653527

Reduced:

NO3C9H14 (2)

Stoich.:

AB3C9D14 (2)

Weight, g/mol:

579.31558

ΔHf, kcal/mol:

-266.89

Dipole, Da:

4.12

IP(EA), eV:

 -9.9(0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-O-[1-[[(3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl]oxycarbonyl]azetidin-3-yl] 1-O-propyl piperazine-1,4-dicarboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC(C1)OC(=O)N2CCC(CC2)C(=O)OCC=C

DOS

IR

Vibrations