Geometry & MOs

Info

ID:	88200
PubChem CID:	49902271
Reduced:	BrNO2S2H14C18 (1)
Stoich.:	ABC2D2E14F18 (1)
Weight, g/mol:	485.88435
ΔH_f, kcal/mol:	-14.52
Dipole, Da:	3.36
IP(EA), eV:	-8.88(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(4-bromophenyl)methyl]-5-[(2,6-dichloro-3-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CSC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)Br

DOS

IR

Vibrations