Geometry & MOs

Info

ID:	87302
PubChem CID:	49893901
Reduced:	SN2O6H22C27 (1)
Stoich.:	AB2C6D22E27 (1)
Weight, g/mol:	454.03902
ΔH_f, kcal/mol:	-150.23
Dipole, Da:	9.31
IP(EA), eV:	-8.79(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)OC2=C(C=CC=C2OC)/C=C\3/C(=O)N(C(=O)S3)CC(=O)NC4=CC=CC=C4

DOS

IR

Vibrations