Geometry & MOs

Info

ID:	15383
PubChem CID:	440182
Reduced:	PN2C6O6H15 (1)
Stoich.:	AB2C6D6E15 (1)
Weight, g/mol:	242.066773
ΔH_f, kcal/mol:	-344.69
Dipole, Da:	4.94
IP(EA), eV:	-9.92(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl] dihydrogen phosphate

Drug info:

PubChemData

Smile

C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)OP(=O)(O)O)O)O)N

DOS

IR

Vibrations