Geometry & MOs

Info

ID:

170663

PubChem CID:

75265166

Reduced:

FN3O3H15C19 (1)

Stoich.:

AB3C3D15E19 (1)

Weight, g/mol:

386.123504

ΔHf, kcal/mol:

-61.84

Dipole, Da:

5.97

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.775352

Charge, e:

 0

Chem-info

IUPAC name:

10-[[2-(diethylamino)-1,3-thiazol-5-yl]methylidene]-4,5-dimethyl-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-trien-2-one

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)CC(=O)NC2=CC=CC(=C2)C[N+]3=NC(=O)C=CC3=O

DOS

IR

Vibrations