Geometry & MOs

Info

ID:

320185

PubChem CID:

126658596

Reduced:

SN5O14C56H67 (1)

Stoich.:

AB5C14D56E67 (1)

Weight, g/mol:

534.270618

ΔHf, kcal/mol:

-473.38

Dipole, Da:

7.23

IP(EA), eV:

 -8.24(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-(18,20-dihydroxy-15,19-diazatricyclo[12.3.3.11,14]henicos-16-en-15-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate

Drug info:

PubChemData

Smile

C=CC(=O)OCCCCCCOC1=CC=C(C=C1)OC(=O)C2CCC(CC2)C(=O)OC3=CC(=C(C=C3)OC(=O)C4CCC(CC4)C(=O)OC5=CC=C(C=C5)OCCCCCCOC(=O)C=C)/C=N/NC6=NC(=C(S6)N)N

DOS

IR

Vibrations