Geometry & MOs

Info

ID:	86551
PubChem CID:	49887044
Reduced:	SN2O5H28C29 (1)
Stoich.:	AB2C5D28E29 (1)
Weight, g/mol:	454.03902
ΔH_f, kcal/mol:	-122.17
Dipole, Da:	6.06
IP(EA), eV:	-8.76(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=CC=CC=C1NC(=O)COC2=C(C=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC=C4)OC

DOS

IR

Vibrations