Geometry & MOs

Info

ID:	299332
PubChem CID:	117682666
Reduced:	PO8C9H15 (2)
Stoich.:	AB8C9D15 (2)
Weight, g/mol:	388.068821
ΔH_f, kcal/mol:	-837.27
Dipole, Da:	2.27
IP(EA), eV:	-10.31(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,12-dihydroxy-8,17-dimethyl-2,4,7,11,13,16-hexaoxa-3lambda5,12lambda5-diphosphatricyclo[13.2.1.06,10]octadecane 3,12-dioxide

Drug info:

PubChemData

Smile

CC1C2C(C(O1)COP(=O)(OC3C(OC(C3O)COP(=O)(O2)OCOC(=O)C)C)OCOC(=O)C)O

DOS

IR

Vibrations