Geometry & MOs

Info

ID:	88268
PubChem CID:	49902695
Reduced:	BrNS2O6H20C25 (1)
Stoich.:	ABC2D6E20F25 (1)
Weight, g/mol:	461.02964
ΔH_f, kcal/mol:	-151.57
Dipole, Da:	5.19
IP(EA), eV:	-8.97(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC=C2OC)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)Br

DOS

IR

Vibrations