Geometry & MOs

Info

ID:

142676

PubChem CID:

53074451

Reduced:

SF3O3N4H17C23 (1)

Stoich.:

AB3C3D4E17F23 (1)

Weight, g/mol:

496.02047

ΔHf, kcal/mol:

-155.12

Dipole, Da:

4.32

IP(EA), eV:

 -8.92(-1.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11-[(3-bromophenyl)methyl]-8-[(4-methoxyphenyl)methyl]-5-thia-1,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,9-triene-7,12-dione

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2C(=O)C3=C(C=CS3)N4C2=NN(C4=O)CC5=CC(=CC=C5)C(F)(F)F

DOS

IR

Vibrations