Geometry & MOs

Info

ID:	214912
PubChem CID:	85083839
Reduced:	O7C39H58 (1)
Stoich.:	A7B39C58 (1)
Weight, g/mol:	638.475769
ΔH_f, kcal/mol:	-314.49
Dipole, Da:	4.63
IP(EA), eV:	-9.45(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[13-[5-[5-(1,9-dihydroxyundecyl)oxolan-2-yl]oxolan-2-yl]-2,13-dihydroxytridecyl]-2-methyl-2H-furan-5-one

Drug info:

PubChemData

Smile

CCCCC(C)(C)C(C=CC1C(CC2C1CC(=C2)C(COCC3=CC=CC=C3)C(=O)OC)OC4CCCCO4)OC5CCCCO5

DOS

IR

Vibrations