Geometry & MOs

Info

ID:	86700
PubChem CID:	49888531
Reduced:	BrSN2O4H15C19 (1)
Stoich.:	ABC2D4E15F19 (1)
Weight, g/mol:	470.033935
ΔH_f, kcal/mol:	-92.24
Dipole, Da:	2.15
IP(EA), eV:	-9.52(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(4-chlorophenyl)methyl]-5-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CC(=C(C=C3)OCC(=O)N)Br)/SC2=O

DOS

IR

Vibrations