Geometry & MOs

Info

ID:	87446
PubChem CID:	49894669
Reduced:	NSF3O3H16C23 (1)
Stoich.:	ABC3D3E16F23 (1)
Weight, g/mol:	434.093643
ΔH_f, kcal/mol:	-197.0
Dipole, Da:	5.53
IP(EA), eV:	-9.1(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2C(=O)/C(=C/C3=CC=C(O3)C4=CC(=CC=C4)C(F)(F)F)/SC2=O

DOS

IR

Vibrations