Geometry & MOs

Info

ID:

223179

PubChem CID:

85334643

Reduced:

S4N8O27C46H52 (1)

Stoich.:

A4B8C27D46E52 (1)

Weight, g/mol:

1280.267606

ΔHf, kcal/mol:

-1027.35

Dipole, Da:

2.49

IP(EA), eV:

 -9.63(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

dilithium;[5-(2-amino-6-oxo-2,3-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[[1-carboxy-4-[[3-[[2-[[4-carboxy-4-[[[5-(2,4-dioxo-1,3,5-triazinan-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]amino]butanoyl]amino]-3-(carboxymethylamino)-3-oxopropyl]disulfanyl]-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-4-oxobutyl]amino]phosphinate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CC(C(=O)NC(CC2=CC=C(C=C2)OS(=O)(=O)O)C(=O)NCC(=O)NCC(=O)NC(CC3=CC=C(C=C3)OS(=O)(=O)O)C(=O)NC(CC(=O)O)C(=O)NC(CC4=CC=C(C=C4)OS(=O)(=O)O)C(=O)NCC(=O)O)N)OS(=O)(=O)O

DOS

IR

Vibrations