Geometry & MOs

Info

ID:	46582
PubChem CID:	10525366
Reduced:	O6N8C15H18 (1)
Stoich.:	A6B8C15D18 (1)
Weight, g/mol:	406.11814
ΔH_f, kcal/mol:	-163.53
Dipole, Da:	8.89
IP(EA), eV:	-10.06(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dibenzyl [(2R,3S,4R)-2,3,4-trihydroxyhex-5-ynyl] phosphate

Drug info:

PubChemData

Smile

CN1C2=C(C(=O)N(C1=O)C)[N+](=C3C(=N2)N(C(=O)N(C3=O)C)CC(=O)NCCN)[O-]

DOS

IR

Vibrations