Geometry & MOs

Info

ID:

222977

PubChem CID:

85333615

Reduced:

S2N6O8C37H46 (1)

Stoich.:

A2B6C8D37E46 (1)

Weight, g/mol:

767.007016

ΔHf, kcal/mol:

-300.67

Dipole, Da:

2.74

IP(EA), eV:

 -9.05(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

[[5-(2-amino-6-oxo-5H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] [hydroxy-[hydroxy-(7-oxophenoxazin-10-ium-3-yl)oxyphosphoryl]oxyphosphoryl] hydrogen phosphate

Drug info:

PubChemData

Smile

CC(C(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CS)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CS)C(=O)O)NC(=O)C(CC3=CC=CC=C3)N)O

DOS

IR

Vibrations