Geometry & MOs

Info

ID:

320171

PubChem CID:

126658540

Reduced:

ClO6N8C37H49 (1)

Stoich.:

AB6C8D37E49 (1)

Weight, g/mol:

488.203601

ΔHf, kcal/mol:

-187.62

Dipole, Da:

4.43

IP(EA), eV:

 -8.5(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[(4R,5R)-5-(2-amino-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]-2-methylbutan-2-yl]oxy-(3-hydroxypentan-3-yl)phosphinic acid

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)CCCN(CCOC3=CC=C(C=C3)CCCCN=C(N)NC(=O)C4=C(N=C(C(=N4)Cl)N)N)C[C@@H](C[C@@H]([C@@H](CO)O)O)O

DOS

IR

Vibrations