Geometry & MOs

Info

ID:	124138
PubChem CID:	50873319
Reduced:	ClFS2N4O4H10C20 (1)
Stoich.:	ABC2D4E4F10G20 (1)
Weight, g/mol:	544.023761
ΔH_f, kcal/mol:	23.97
Dipole, Da:	8.02
IP(EA), eV:	-9.53(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methylidene]-3-naphthalen-1-yl-2-sulfanylidene-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

C1=CC(=CC=C1/C=C/2\C(=O)N(C(=S)S2)C3=CC=C(C=C3)[N+](=O)[O-])OC4=NC(=NC=C4F)Cl

DOS

IR

Vibrations