Geometry & MOs

Info

ID:

169069

PubChem CID:

75060062

Reduced:

F2N3O20C41H49 (1)

Stoich.:

A2B3C20D41E49 (1)

Weight, g/mol:

311.10706

ΔHf, kcal/mol:

-637.09

Dipole, Da:

9.79

IP(EA), eV:

 -9.37(-1.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

potassium;trifluoro-[3-methyl-1-[(2-phenylacetyl)amino]butyl]boranuide

Drug info:

PubChemData

Smile

CC1CC2C3CC(C4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COC(=O)OC5=C(C=C(C=C5)C(=O)OCCCCC(CO[N+](=O)[O-])O[N+](=O)[O-])OC)OC(=O)CCCO[N+](=O)[O-])C)O)F)C)F

DOS

IR

Vibrations