Geometry & MOs

Info

ID:

219092

PubChem CID:

85090481

Reduced:

ClBr3O4H8C17 (1)

Stoich.:

AB3C4D8E17 (1)

Weight, g/mol:

554.175932

ΔHf, kcal/mol:

-73.99

Dipole, Da:

6.34

IP(EA), eV:

 -9.07(-1.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[4-(5-fluoro-2,4-dioxo-1,3-diazinan-1-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy]-4,5-dihydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C2=C(C(=O)OC2=CC3=CC(=C(C(=C3)Br)O)Br)Cl)Br)O

DOS

IR

Vibrations