Geometry & MOs

Info

ID:

215546

PubChem CID:

85084890

Reduced:

S3N10O12C44H62 (1)

Stoich.:

A3B10C12D44E62 (1)

Weight, g/mol:

1019.183775

ΔHf, kcal/mol:

-512.55

Dipole, Da:

8.22

IP(EA), eV:

 -8.47(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[[5-(6-amino-2-methylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl [2-(6-aminopurin-9-yl)-4-hydroxy-5-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate

Drug info:

PubChemData

Smile

CC(C(=O)NC(CCSC)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CC(=O)N)C(=O)NC(CS)C(=O)O)NC(=O)C(CO)NC(=O)C3CCCN3C(=O)C(CS)N

DOS

IR

Vibrations