Geometry & MOs

Info

ID:	191869
PubChem CID:	78195795
Reduced:	NPO9C12H26 (1)
Stoich.:	ABC9D12E26 (1)
Weight, g/mol:	331.103218
ΔH_f, kcal/mol:	-497.61
Dipole, Da:	3.27
IP(EA), eV:	-10.03(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-acetamido-2,3,4,6-tetrahydroxyhexyl) ethyl hydrogen phosphate

Drug info:

PubChemData

Smile

CCOP(=O)(OCC)OCC(C(C(C(CO)NC(=O)C)O)O)O

DOS

IR

Vibrations