Geometry & MOs

Info

ID:

181892

PubChem CID:

76810720

Reduced:

PSN6O10C26H33 (1)

Stoich.:

ABC6D10E26F33 (1)

Weight, g/mol:

596.18182

ΔHf, kcal/mol:

-382.45

Dipole, Da:

12.5

IP(EA), eV:

 -9.7(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

S-[2-[[5-(6-aminopurin-9-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-anilinophosphoryl]oxyethyl] 3-hydroxy-2,2-dimethylpropanethioate

Drug info:

PubChemData

Smile

CC12C(C(OC1N3C=NC4C3=NC(=NC4=O)N)COP(=O)(NCC5=CC=CC=C5)OCCSC(=O)C(C)(C)CO)OC(=O)O2

DOS

IR

Vibrations