Geometry & MOs

Info

ID:	86611
PubChem CID:	49887592
Reduced:	ClSN2O6H19C25 (1)
Stoich.:	ABC2D6E19F25 (1)
Weight, g/mol:	499.99609
ΔH_f, kcal/mol:	-76.48
Dipole, Da:	8.56
IP(EA), eV:	-9.34(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3Cl)[N+](=O)[O-])OCC4=CC=CC=C4

DOS

IR

Vibrations