Geometry & MOs

Info

ID:	445009
PubChem CID:	135264260
Reduced:	OF3N5H14C15 (1)
Stoich.:	AB3C5D14E15 (1)
Weight, g/mol:	552.213772
ΔH_f, kcal/mol:	-91.25
Dipole, Da:	7.5
IP(EA), eV:	-8.27(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[[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

CN1CCN(C2=C1C=CC(=C2)NC=C3N=CC=N3)C(=O)C(F)(F)F

DOS

IR

Vibrations