Geometry & MOs

Info

ID:	168766
PubChem CID:	75015680
Reduced:	NNaO8C23H34 (1)
Stoich.:	ABC8D23E34 (1)
Weight, g/mol:	453.236267
ΔH_f, kcal/mol:	-371.79
Dipole, Da:	10.51
IP(EA), eV:	-8.94(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[3-[3,4-dihydroxy-5-[[3-(3-hydroxybutan-2-yl)oxiran-2-yl]methyl]oxan-2-yl]-2-methylprop-1-enyl]-1,3-oxazol-5-yl]butanoic acid

Drug info:

PubChemData

Smile

CC(C1C(O1)CC2COC(C(C2O)O)CC(=CC3=NC=C(O3)CCCC(=O)[O-])C)C(C)O.[Na+]

DOS

IR

Vibrations