Geometry & MOs

Info

ID:

86890

PubChem CID:

49889904

Reduced:

BrNSF2O4H18C25 (1)

Stoich.:

ABCD2E4F18G25 (1)

Weight, g/mol:

547.97277

ΔHf, kcal/mol:

-156.28

Dipole, Da:

3.24

IP(EA), eV:

 -8.96(-1.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-5-[[1-(4-bromo-3-methylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-3-[(2,4-dichlorophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)F)Br)OCC4=CC=CC=C4F

DOS

IR

Vibrations