Geometry & MOs

Info

ID:	402268
PubChem CID:	135055274
Reduced:	N2O6C21H40 (1)
Stoich.:	A2B6C21D40 (1)
Weight, g/mol:	374.061413
ΔH_f, kcal/mol:	-303.91
Dipole, Da:	3.81
IP(EA), eV:	-9.92(0.64)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

[3,4-dihydroxy-2-oxo-5-[(2S,3S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pentyl] phosphate

Drug info:

PubChemData

Smile

CC(C)CCCCCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)[C@H]([C@]1(CO1)CO)O

DOS

IR

Vibrations