Geometry & MOs

Info

ID:	219910
PubChem CID:	85165033
Reduced:	SiO6C36H58 (1)
Stoich.:	AB6C36D58 (1)
Weight, g/mol:	614.431317
ΔH_f, kcal/mol:	-376.66
Dipole, Da:	5.92
IP(EA), eV:	-8.55(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-chloro-7-[5-(1,4,5-trihydroxynonadecyl)oxolan-2-yl]heptyl]-2-methyl-2H-furan-5-one

Drug info:

PubChemData

Smile

CC12CCC3C(C1CC(C2O[Si](C)(C)C(C)(C)C)CCC(CCCCCC(=O)O)C(=O)OC)CCC4=C3C=CC(=C4)OC

DOS

IR

Vibrations