Geometry & MOs

Info

ID:	214779
PubChem CID:	85083626
Reduced:	ClISO5N6C19H20 (1)
Stoich.:	ABCD5E6F19G20 (1)
Weight, g/mol:	606.326011
ΔH_f, kcal/mol:	-107.86
Dipole, Da:	5.15
IP(EA), eV:	-9.27(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[2,3-di(hexanoyloxy)propyldisulfanyl]-2-hexanoyloxypropyl] hexanoate

Drug info:

PubChemData

Smile

CNC(=O)C1CC(C(O1)N2C=NC3=C(N=C(N=C32)Cl)NCC4=CC(=CC=C4)I)OS(=O)(=O)C

DOS

IR

Vibrations