Geometry & MOs

Info

ID:	188906
PubChem CID:	77782006
Reduced:	ClSN5O5C20H32 (1)
Stoich.:	ABC5D5E20F32 (1)
Weight, g/mol:	386.230453
ΔH_f, kcal/mol:	-233.18
Dipole, Da:	8.55
IP(EA), eV:	-9.26(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-dodecoxy-3-hydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethyl] acetate

Drug info:

PubChemData

Smile

CC(C)C1C2C(CCN2C(=O)C3=NN(C(=C3)CN4CCOCC4)C)N(C1=O)S(=O)(=O)C.Cl

DOS

IR

Vibrations