Geometry & MOs

Info

ID:

232951

PubChem CID:

87577802

Reduced:

ClSF3N4O4H18C22 (1)

Stoich.:

ABC3D4E4F18G22 (1)

Weight, g/mol:

525.061113

ΔHf, kcal/mol:

-200.79

Dipole, Da:

4.03

IP(EA), eV:

 -9.46(-1.64)

Spin(Sz, S2):

 None, None

Charge, e:

 -1

Chem-info

IUPAC name:

N-[4-[4-chloro-3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2-(6,8-dimethyl-7-oxido-5-oxo-6,8-dihydro-2,7-naphthyridin-4-yl)acetamide

Drug info:

PubChemData

Smile

CC1C2=C(C(=CN=C2)CC(=O)NC3=NC(=CS3)C4=CC(=C(C=C4)Cl)OC(F)(F)F)C(=O)C([NH+]1[O-])C

DOS

IR

Vibrations