Geometry & MOs

Info

ID:

13713

PubChem CID:

397130

Reduced:

PSN6O11C49H83 (1)

Stoich.:

ABC6D11E49F83 (1)

Weight, g/mol:

994.557816

ΔHf, kcal/mol:

-622.99

Dipole, Da:

9.19

IP(EA), eV:

 -9.51(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-[4-(hexadecanoylamino)-2-oxopyrimidin-1-yl]-2-(hydroxymethyl)oxolan-3-yl] [5-[4-(hexadecanoylamino)-2-oxopyrimidin-1-yl]-1,3-oxathiolan-2-yl]methyl hydrogen phosphate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)NC1=NC(=O)N(C=C1)C2CC(C(O2)CO)OP(=O)(O)OCC3OC(CS3)N4C=CC(=NC4=O)NC(=O)CCCCCCCCCCCCCCC

DOS

IR

Vibrations