Geometry & MOs

Info

ID:	172912
PubChem CID:	75572115
Reduced:	BrNS3O4H14C18 (1)
Stoich.:	ABC3D4E14F18 (1)
Weight, g/mol:	492.000527
ΔH_f, kcal/mol:	-58.09
Dipole, Da:	4.69
IP(EA), eV:	-9.08(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene]-3-naphthalen-1-yl-2-sulfanylidene-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CCN1C(=O)C(=CC2=CC(=C(C(=C2)Br)OC(=O)C3=CC=CS3)OC)SC1=S

DOS

IR

Vibrations