Geometry & MOs

Info

ID:	88147
PubChem CID:	49901862
Reduced:	FNSBr2O2H10C17 (1)
Stoich.:	ABCD2E2F10G17 (1)
Weight, g/mol:	481.057986
ΔH_f, kcal/mol:	-55.83
Dipole, Da:	1.72
IP(EA), eV:	-9.72(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CN2C(=O)/C(=C/C3=CC(=C(C=C3)F)Br)/SC2=O)Br

DOS

IR

Vibrations