Geometry & MOs

Info

ID:	86724
PubChem CID:	49888679
Reduced:	BrSN2O4H19C26 (1)
Stoich.:	ABC2D4E19F26 (1)
Weight, g/mol:	436.101227
ΔH_f, kcal/mol:	-29.68
Dipole, Da:	6.34
IP(EA), eV:	-9.15(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-benzyl-5-[[1-(3-chloro-2-methylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-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=CC=C3)Br)OCC4=CC=C(C=C4)C#N

DOS

IR

Vibrations