Geometry & MOs

Info

ID:

480

PubChem CID:

2822

Reduced:

SP3N9O17C33H48 (1)

Stoich.:

AB3C9D17E33F48 (1)

Weight, g/mol:

967.210173

ΔHf, kcal/mol:

-862.22

Dipole, Da:

6.3

IP(EA), eV:

 -8.44(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [3-hydroxy-4-[[3-[2-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]sulfanylethylamino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutyl] hydrogen phosphate

Drug info:

PubChemData

Smile

CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSCC(=O)NCCC4=CNC5=CC=CC=C54)O

DOS

IR

Vibrations