Geometry & MOs

Info

ID:

221600

PubChem CID:

85285455

Reduced:

NO8C29H37 (1)

Stoich.:

AB8C29D37 (1)

Weight, g/mol:

527.218903

ΔHf, kcal/mol:

-341.06

Dipole, Da:

2.45

IP(EA), eV:

 -9.74(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-(diethylamino)-2-oxo-1-(4,4,12,12-tetramethyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecan-7-yl)ethyl] 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CCCC(=O)OCC1(C(CCC2(C1CC(C3(C2C(C4=C(O3)C=C(OC4=O)C5=CN=CC=C5)O)C)O)C)O)C

DOS

IR

Vibrations