Geometry & MOs

Info

ID:	436953
PubChem CID:	135213242
Reduced:	FP3N6C11O13H18 (1)
Stoich.:	AB3C6D11E13F18 (1)
Weight, g/mol:	316.297745
ΔH_f, kcal/mol:	-742.46
Dipole, Da:	7.85
IP(EA), eV:	-9.68(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-3-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]oxy-1-[(2-methylpropan-2-yl)oxy]butane

Drug info:

PubChemData

Smile

C1[C@]([C@@H]([C@@](O1)(CN)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)(N2C=NC3=C2NC(=NC3=O)N)F

DOS

IR

Vibrations