Geometry & MOs

Info

ID:	86552
PubChem CID:	49887064
Reduced:	ClSN2O5H15C22 (1)
Stoich.:	ABC2D5E15F22 (1)
Weight, g/mol:	454.03902
ΔH_f, kcal/mol:	-47.6
Dipole, Da:	4.78
IP(EA), eV:	-9.27(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC=C4Cl

DOS

IR

Vibrations