Geometry & MOs

Info

ID:

296870

PubChem CID:

117598030

Reduced:

N2S2O6C39H40 (1)

Stoich.:

A2B2C6D39E40 (1)

Weight, g/mol:

947.565618

ΔHf, kcal/mol:

-77.62

Dipole, Da:

9.34

IP(EA), eV:

 -7.22(-2.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,4-dihydroxyheptadec-16-enyl acetate;2,4-dihydroxyheptadec-16-ynyl acetate;2-(dimethylamino)ethyl 2-(4-chlorophenoxy)acetate;hydrochloride

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)SC.C=CC(C1=CC=CC=C1)C2=CC(=O)C=CC2=O.C(=CC(=O)O)C(=O)O

DOS

IR

Vibrations