Geometry & MOs

Info

ID:	223660
PubChem CID:	85335382
Reduced:	ClSN4O4C22H25 (1)
Stoich.:	ABC4D4E22F25 (1)
Weight, g/mol:	477.085778
ΔH_f, kcal/mol:	-78.15
Dipole, Da:	3.28
IP(EA), eV:	-9.8(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[3-(5-acetyl-3,3-dimethyl-2H-1-benzofuran-7-yl)-4-(trifluoromethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=NOC(=N1)C2=CC=C(C=C2)CN(C(CC(C)C)C(=O)N)S(=O)(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations