Geometry & MOs

Info

ID:	88140
PubChem CID:	49901830
Reduced:	SN2O4H16C23 (1)
Stoich.:	AB2C4D16E23 (1)
Weight, g/mol:	484.9755
ΔH_f, kcal/mol:	4.75
Dipole, Da:	7.42
IP(EA), eV:	-9.47(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC=C4[N+](=O)[O-]

DOS

IR

Vibrations