Geometry & MOs

Info

ID:	87867
PubChem CID:	49898106
Reduced:	BrNCl2S2O5H14C23 (1)
Stoich.:	ABC2D2E5F14G23 (1)
Weight, g/mol:	506.062254
ΔH_f, kcal/mol:	-124.44
Dipole, Da:	4.89
IP(EA), eV:	-9.17(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(2,6-dichlorophenyl)methyl]-5-[[1-[(4-methylphenyl)methyl]indol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)Br)/C=C\3/C(=O)N(C(=O)S3)CC4=C(C=CC=C4Cl)Cl

DOS

IR

Vibrations