Geometry & MOs

Info

ID:	147490
PubChem CID:	53787146
Reduced:	SN4C10H18 (1)
Stoich.:	AB4C10D18 (1)
Weight, g/mol:	502.048873
ΔH_f, kcal/mol:	43.81
Dipole, Da:	4.15
IP(EA), eV:	-8.99(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl] [(3S,4R,5R)-4,5,6-trihydroxy-2-oxo-3-phosphonooxyhexyl] hydrogen phosphate

Drug info:

PubChemData

Smile

CCCN(CCC)C(=N)C(C#N)C(=S)N

DOS

IR

Vibrations