Geometry & MOs

Info

ID:

191344

PubChem CID:

78134514

Reduced:

BrF4H9C15 (1)

Stoich.:

AB4C9D15 (1)

Weight, g/mol:

764.275721

ΔHf, kcal/mol:

-133.88

Dipole, Da:

1.29

IP(EA), eV:

 -9.99(-1.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-benzylsulfanyl-1,2,3-triaza-4-azanidacyclopenta-2,5-diene;2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxo-3-prop-2-enoxypropoxy]-prop-2-enoxyphosphoryl]oxyethyl-trimethylazanium

Drug info:

PubChemData

Smile

C1=C(C=C(C=C1F)F)C=CC(C2=CC(=CC(=C2)F)F)Br

DOS

IR

Vibrations