Geometry & MOs

Info

ID:	88348
PubChem CID:	49903018
Reduced:	BrClNSO3H17C24 (1)
Stoich.:	ABCDE3F17G24 (1)
Weight, g/mol:	474.140199
ΔH_f, kcal/mol:	-37.71
Dipole, Da:	4.17
IP(EA), eV:	-9.35(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)COC2=CC=CC(=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)Br)Cl

DOS

IR

Vibrations