Geometry & MOs

Info

ID:

299035

PubChem CID:

117669354

Reduced:

ClFN6O7C25H26 (1)

Stoich.:

ABC6D7E25F26 (1)

Weight, g/mol:

609.151917

ΔHf, kcal/mol:

-199.55

Dipole, Da:

3.13

IP(EA), eV:

 -9.49(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

propan-2-yl 2-[[[(2R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-2-azido-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate

Drug info:

PubChemData

Smile

CCOC(=O)OCOC(=O)[C@@H](CN(CC1=CC=C(C=C1)C2=C(C=CC(=C2)Cl)F)NC(=O)C3=NN=NN3CC=C)O

DOS

IR

Vibrations