Geometry & MOs

Info

ID:

445653

PubChem CID:

135268767

Reduced:

F3N4O5C27H27 (1)

Stoich.:

A3B4C5D27E27 (1)

Weight, g/mol:

594.05807

ΔHf, kcal/mol:

-299.63

Dipole, Da:

4.89

IP(EA), eV:

 -9.16(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-benzyl-2-[4-[fluoro(phosphanyl)methoxy]phenyl]-6-(3-hydroxypropyl)-4-iodo-6,7-dihydro-4H-cyclohepta[d]imidazole-5,8-dione

Drug info:

PubChemData

Smile

CN1C2=C(C(=O)N(C1=O)CCC3(CCCC3)O)N(C(=N2)OC4=CC(=CC=C4)OC(F)(F)F)CC5=CC=CC=C5

DOS

IR

Vibrations