Geometry & MOs

Info

ID:

445010

PubChem CID:

135264261

Reduced:

PN4O6C28H33 (1)

Stoich.:

AB4C6D28E33 (1)

Weight, g/mol:

500.164714

ΔHf, kcal/mol:

-241.2

Dipole, Da:

4.03

IP(EA), eV:

 -8.92(-0.8)

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]oxy-thiophen-3-ylphosphinic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations