Geometry & MOs

Info

ID:

87197

PubChem CID:

49893004

Reduced:

BrFNSCl2O3H15C24 (1)

Stoich.:

ABCDE2F3G15H24 (1)

Weight, g/mol:

480.091056

ΔHf, kcal/mol:

-92.17

Dipole, Da:

5.45

IP(EA), eV:

 -9.25(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-3-[(2-chlorophenyl)methyl]-5-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethylpyrrol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC(=CC=C1COC2=C(C=C(C=C2)Br)/C=C\3/C(=O)N(C(=O)S3)CC4=C(C=C(C=C4)Cl)Cl)F

DOS

IR

Vibrations