Geometry & MOs

Info

ID:	88231
PubChem CID:	49902463
Reduced:	BrINSO4H23C30 (1)
Stoich.:	ABCDE4F23G30 (1)
Weight, g/mol:	506.90983
ΔH_f, kcal/mol:	-34.24
Dipole, Da:	6.73
IP(EA), eV:	-8.82(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(4-bromophenyl)methyl]-5-[[5-(3,4-dichlorophenyl)furan-2-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=C(C=C3)Br)I)OCC4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations