Geometry & MOs

Info

ID:	189081
PubChem CID:	77813350
Reduced:	ON2C11H12 (1)
Stoich.:	AB2C11D12 (1)
Weight, g/mol:	456.272318
ΔH_f, kcal/mol:	21.27
Dipole, Da:	7.2
IP(EA), eV:	-9.82(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1,2-dihydroxyethyl)-4-hydroxy-5-oxo-2H-furan-3-yl] 12-hydroxyoctadec-9-enoate

Drug info:

PubChemData

Smile

CCCC1C=CC2=NC=NC(=O)C2=C1

DOS

IR

Vibrations