Geometry & MOs

Info

ID:	86673
PubChem CID:	49888412
Reduced:	ClNSO5H18C20 (1)
Stoich.:	ABCD5E18F20 (1)
Weight, g/mol:	637.87365
ΔH_f, kcal/mol:	-136.32
Dipole, Da:	8.28
IP(EA), eV:	-8.92(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)Cl)OC)OC

DOS

IR

Vibrations