Geometry & MOs

Info

ID:	87472
PubChem CID:	49894845
Reduced:	BrNSO3H12C16 (1)
Stoich.:	ABCD3E12F16 (1)
Weight, g/mol:	460.109293
ΔH_f, kcal/mol:	-51.08
Dipole, Da:	2.93
IP(EA), eV:	-9.24(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2C(=O)/C(=C/C3=CC=C(O3)Br)/SC2=O

DOS

IR

Vibrations