Geometry & MOs

Info

ID:	187414
PubChem CID:	77571381
Reduced:	O2N5H27C28 (1)
Stoich.:	A2B5C27D28 (1)
Weight, g/mol:	538.191973
ΔH_f, kcal/mol:	51.35
Dipole, Da:	5.86
IP(EA), eV:	-9.08(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

disodium;[2-[2-(2-hexyldecanoyloxy)-1-hydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] phosphate

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C2=CC=C(C=C2)C(C)(C)C)C3=CC(=NC4=NC=CN=C4)C(=O)N=C3C

DOS

IR

Vibrations