Geometry & MOs

Info

ID:

179275

PubChem CID:

76459512

Reduced:

PN7O10C44H48 (1)

Stoich.:

AB7C10D44E48 (1)

Weight, g/mol:

825.382628

ΔHf, kcal/mol:

-338.0

Dipole, Da:

5.68

IP(EA), eV:

 -8.81(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,2-dimethylpropyl 2-[[[5-(2-amino-6-methoxypurin-9-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-[[1-(2,2-dimethylpropoxy)-1-oxo-3-phenylpropan-2-yl]amino]phosphoryl]amino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CC1(C(C(OC1N2C=NC3=C2N=C(N=C3OC)N)COP(=O)(NC(CC4=CC=CC=C4)C(=O)OCC5=CC=CC=C5)NC(CC6=CC=CC=C6)C(=O)OCC7=CC=CC=C7)O)O

DOS

IR

Vibrations