Geometry & MOs

Info

ID:

43850

PubChem CID:

10321883

Reduced:

O2N3C29H35 (1)

Stoich.:

A2B3C29D35 (1)

Weight, g/mol:

457.249809

ΔHf, kcal/mol:

-69.52

Dipole, Da:

4.07

IP(EA), eV:

 -7.83(-0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

S-[3-[[(1S,4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]propyl] N,N-diethylcarbamothioate

Drug info:

PubChemData

Smile

C1CCCC(CC1)C(=O)NC2=CC3=C(C=C2)NC=C3C4=CC=C(C=C4)NC(=O)C5CCCCC5

DOS

IR

Vibrations