Geometry & MOs

Info

ID:

445000

PubChem CID:

135264240

Reduced:

PO3N4C24H33 (1)

Stoich.:

AB3C4D24E33 (1)

Weight, g/mol:

552.213772

ΔHf, kcal/mol:

-105.89

Dipole, Da:

9.71

IP(EA), eV:

 -8.5(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[[4-[4-(4-amino-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-6-yl)cyclohexa-2,4-dien-1-yl]cyclohexyl]oxy-hydroxyphosphoryl]methyl]benzoic acid

Drug info:

PubChemData

Smile

CC1(C(=NC2=C(N=CN=C2O1)N)C3=CCC(C=C3)C4CCC(CC4)CP(=O)(C5CC5)O)C

DOS

IR

Vibrations