Geometry & MOs

Info

ID:	86579
PubChem CID:	49887325
Reduced:	NSCl2O2H13C19 (1)
Stoich.:	ABC2D2E13F19 (1)
Weight, g/mol:	535.99609
ΔH_f, kcal/mol:	-22.04
Dipole, Da:	3.04
IP(EA), eV:	-9.28(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN2C(=O)/C(=C/C=C/C3=CC=CC=C3Cl)/SC2=O)Cl

DOS

IR

Vibrations