Geometry & MOs

Info

ID:

297699

PubChem CID:

117626125

Reduced:

NO10C49H87 (1)

Stoich.:

AB10C49D87 (1)

Weight, g/mol:

605.392768

ΔHf, kcal/mol:

-613.77

Dipole, Da:

7.58

IP(EA), eV:

 -9.19(0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-O-(1-methyl-2-bicyclo[2.2.1]heptanyl) 8-O-[2-(3-oxobutanoyloxy)ethyl] 6,6-dimethyl-2-[4-(2-oxopyrrolidin-1-yl)hexyl]octanedioate

Drug info:

PubChemData

Smile

CCCCCCCCCCOC(=O)C(CCCC(CCCC(CC)N1CCCC1=O)C(=O)OCCCCCCCC)CCCC(C)(CC)C(=O)OCCOC(=O)CC(=O)C

DOS

IR

Vibrations