Geometry & MOs

Info

ID:	88379
PubChem CID:	49903096
Reduced:	BrClSN3O3H17C24 (1)
Stoich.:	ABCD3E3F17G24 (1)
Weight, g/mol:	550.01174
ΔH_f, kcal/mol:	0.19
Dipole, Da:	7.06
IP(EA), eV:	-8.96(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N/N=C/2\C=CC(=O)C(=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)Br)Cl

DOS

IR

Vibrations