Geometry & MOs

Info

ID:

190326

PubChem CID:

77985747

Reduced:

NO8C24H27 (1)

Stoich.:

AB8C24D27 (1)

Weight, g/mol:

580.19591

ΔHf, kcal/mol:

-303.3

Dipole, Da:

5.15

IP(EA), eV:

 -8.84(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[[5-(2,6-diaminopurin-9-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy]-8-methyl-2-oxo-3,4-dihydropyrido[4,3-e][1,3,2]oxazaphosphinin-5-yl]methyl 2-methylpropanoate

Drug info:

PubChemData

Smile

CC(=O)NC1C(C(=C(OC1C(C(CO)O)O)C(=O)O)CC=CC2=CC3=CC=CC=C3C=C2)O

DOS

IR

Vibrations