Geometry & MOs

Info

ID:	15522
PubChem CID:	443247
Reduced:	C6P7H19O27 (1)
Stoich.:	A6B7C19D27 (1)
Weight, g/mol:	739.827704
ΔH_f, kcal/mol:	-1707.26
Dipole, Da:	5.7
IP(EA), eV:	-11.24(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,5R,6S)-2,3,4,5,6-pentaphosphonooxycyclohexyl] phosphono hydrogen phosphate

Drug info:

PubChemData

Smile

[C@H]1([C@H](C([C@H]([C@@H](C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O

DOS

IR

Vibrations