Geometry & MOs

Info

ID:	88304
PubChem CID:	49902855
Reduced:	BrClNSO2H11C17 (1)
Stoich.:	ABCDE2F11G17 (1)
Weight, g/mol:	547.02014
ΔH_f, kcal/mol:	-23.05
Dipole, Da:	3.62
IP(EA), eV:	-9.66(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations