Geometry & MOs

Info

ID:	87586
PubChem CID:	49895640
Reduced:	SN3O7H13C18 (1)
Stoich.:	AB3C7D13E18 (1)
Weight, g/mol:	454.03902
ΔH_f, kcal/mol:	-70.81
Dipole, Da:	6.5
IP(EA), eV:	-9.68(-2.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[5-(2-chloro-4-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=C(C(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])O)/SC2=O

DOS

IR

Vibrations