Geometry & MOs

Info

ID:

82119

PubChem CID:

49855641

Reduced:

F3N4O4H31C35 (1)

Stoich.:

A3B4C4D31E35 (1)

Weight, g/mol:

472.07799

ΔHf, kcal/mol:

-211.61

Dipole, Da:

9.96

IP(EA), eV:

 -9.26(-1.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2,2-dimethylpropanoyloxymethoxy(trifluoromethylsulfonyloxymethyl)phosphoryl]oxymethyl 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=C(C=C2C)C5=NC6=CC=CC=C6N5C.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations