Geometry & MOs

Info

ID:

322342

PubChem CID:

126669852

Reduced:

NO4C23H41 (1)

Stoich.:

AB4C23D41 (1)

Weight, g/mol:

505.315186

ΔHf, kcal/mol:

-205.75

Dipole, Da:

2.83

IP(EA), eV:

 -9.6(0.68)

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] 3-[2-(4-methyl-3-oxopiperazin-1-yl)ethyl]azetidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)C(C)CCC(C)(C)C1C(C(CCC12CO2)OC(=O)N3CCCC3)OC

DOS

IR

Vibrations