Geometry & MOs

Info

ID:	87349
PubChem CID:	49894236
Reduced:	BrNS2O5H18C24 (1)
Stoich.:	ABC2D5E18F24 (1)
Weight, g/mol:	438.140199
ΔH_f, kcal/mol:	-101.26
Dipole, Da:	4.78
IP(EA), eV:	-9.26(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CC(=C(C(=C3)Br)OC(=O)C4=CC=CS4)OC)/SC2=O

DOS

IR

Vibrations