Geometry & MOs

Info

ID:	179410
PubChem CID:	76478447
Reduced:	S2N5O5C18H19 (1)
Stoich.:	A2B5C5D18E19 (1)
Weight, g/mol:	451.988596
ΔH_f, kcal/mol:	-74.09
Dipole, Da:	6.78
IP(EA), eV:	-8.93(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,5,6,7-tetrahydroxy-1,2-diphosphonooxyheptan-3-yl) dihydrogen phosphate

Drug info:

PubChemData

Smile

CC(C1C2N(C1=O)C(=C(S2)COC3=CC=C(C=C3)C(C)SC4=NNN=N4)C(=O)O)O

DOS

IR

Vibrations