Geometry & MOs

Info

ID:	87702
PubChem CID:	49896642
Reduced:	BrNSO5H20C26 (1)
Stoich.:	ABCD5E20F26 (1)
Weight, g/mol:	434.093643
ΔH_f, kcal/mol:	-106.24
Dipole, Da:	5.17
IP(EA), eV:	-9.29(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CC(=C(C(=C3)Br)OC(=O)C4=CC=CC=C4)OC)/SC2=O

DOS

IR

Vibrations