Geometry & MOs

Info

ID:

445001

PubChem CID:

135264247

Reduced:

PN4O6C28H33 (1)

Stoich.:

AB4C6D28E33 (1)

Weight, g/mol:

525.214106

ΔHf, kcal/mol:

-242.05

Dipole, Da:

4.62

IP(EA), eV:

 -9.06(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[4-(4-amino-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-6-yl)cyclohexa-2,4-dien-1-yl]cyclohexyl] pyridin-4-ylmethyl hydrogen phosphate

Drug info:

PubChemData

Smile

CC1(C(=NC2=C(N=CN=C2O1)N)C3=CCC(C=C3)C4CCC(CC4)OP(=O)(CC5=CC=C(C=C5)C(=O)O)O)C

DOS

IR

Vibrations