Geometry & MOs

Info

ID:

169359

PubChem CID:

75092507

Reduced:

O8N9C28H43 (1)

Stoich.:

A8B9C28D43 (1)

Weight, g/mol:

606.1873

ΔHf, kcal/mol:

-337.23

Dipole, Da:

9.99

IP(EA), eV:

 -9.42(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

S-[2-[[5-(2-amino-6-oxo-5H-purin-9-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-morpholin-4-ylphosphoryl]oxyethyl] 3-hydroxy-2,2-dimethylpropanethioate

Drug info:

PubChemData

Smile

CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCN=C(N)N)CCCCN)CC2=CC=C(C=C2)O)CC(=O)O

DOS

IR

Vibrations