Geometry & MOs

Info

ID:

297496

PubChem CID:

117619066

Reduced:

NO12C29H45 (1)

Stoich.:

AB12C29D45 (1)

Weight, g/mol:

637.346211

ΔHf, kcal/mol:

-579.07

Dipole, Da:

8.4

IP(EA), eV:

 -9.89(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-O-(6-methylheptyl) 1-O-[2-(3-oxobutanoyloxy)ethyl] 2-[2,5-dioxo-4-[1-(2-oxopyrrolidin-1-yl)propyl]oxolan-3-yl]-2,5-dimethylhexanedioate

Drug info:

PubChemData

Smile

CCC(C(C(C(=O)O)C(C)(CC)C(=O)OCCOC(=O)C(CCC(=O)CCCCO)C(=O)C)C(=O)O)N1CCCC1=O

DOS

IR

Vibrations