Geometry & MOs

Info

ID:	88024
PubChem CID:	49900013
Reduced:	NSO3H21C24 (1)
Stoich.:	ABC3D21E24 (1)
Weight, g/mol:	498.918425
ΔH_f, kcal/mol:	-52.26
Dipole, Da:	4.29
IP(EA), eV:	-8.9(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)OC1=CC=CC=C1/C=C\2/C(=O)N(C(=O)S2)CC3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations