Geometry & MOs

Info

ID:

322410

PubChem CID:

126670047

Reduced:

NO3C12H19 (2)

Stoich.:

AB3C12D19 (2)

Weight, g/mol:

521.346486

ΔHf, kcal/mol:

-206.7

Dipole, Da:

8.26

IP(EA), eV:

 -9.21(0.33)

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-[2-(diethylamino)ethylamino]-2-oxoethyl]azetidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(=CC[C@@H]1[C@@](O1)(C)C2[C@@H]([C@@H](CC[C@]23CO3)OC(=O)N4CC(C4)CC(=O)N(C)C)OC)C

DOS

IR

Vibrations