Geometry & MOs

Info

ID:	86976
PubChem CID:	49890304
Reduced:	NSCl2O5H13C19 (1)
Stoich.:	ABC2D5E13F19 (1)
Weight, g/mol:	463.96777
ΔH_f, kcal/mol:	-151.23
Dipole, Da:	5.64
IP(EA), eV:	-9.39(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)NC(=O)S2)Cl)OC(=O)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations