Geometry & MOs

Info

ID:

86638

PubChem CID:

49888042

Reduced:

BrClNSO4H21C26 (1)

Stoich.:

ABCDE4F21G26 (1)

Weight, g/mol:

480.091056

ΔHf, kcal/mol:

-78.74

Dipole, Da:

3.11

IP(EA), eV:

 -8.74(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-3-[(4-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

CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3Cl)OCC4=CC=C(C=C4)Br

DOS

IR

Vibrations