Geometry & MOs

Info

ID:

218634

PubChem CID:

85089729

Reduced:

FNCl2O6H14C23 (1)

Stoich.:

ABC2D6E14F23 (1)

Weight, g/mol:

492.178018

ΔHf, kcal/mol:

-185.14

Dipole, Da:

3.99

IP(EA), eV:

 -9.72(-2.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(5-fluoro-2,4-dioxo-1,3-diazinan-1-yl)-N-[2-[[3-(5-fluoro-2,4-dioxo-1,3-diazinan-1-yl)-3-methoxypropanoyl]amino]ethyl]-3-methoxypropanamide

Drug info:

PubChemData

Smile

C1C(NC(=C(C2=CC(=C(C=C2)OC3=CC(=CC(=C3)Cl)Cl)F)O)C4=CC(=O)C(=O)C=C41)C(=O)O

DOS

IR

Vibrations