Geometry & MOs

Info

ID:

223034

PubChem CID:

85334087

Reduced:

O7N8C57H66 (1)

Stoich.:

A7B8C57D66 (1)

Weight, g/mol:

943.220133

ΔHf, kcal/mol:

-70.3

Dipole, Da:

10.34

IP(EA), eV:

 -6.61(-2.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-5-[[3-[[2-[[4-[[[5-(6-amino-1,2-dihydropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]amino]-4-carboxybutanoyl]amino]-3-(carboxymethylamino)-3-oxopropyl]disulfanyl]-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

C1CNC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)COC1)CC2=CC=CC=C2)CCCCN)CC3=CNC4=CC=CC=C43)CC5=CC=CC=C5)CC6=CC=CC=C6)CC7=CC=CC=C7

DOS

IR

Vibrations