Geometry & MOs

Info

ID:	87448
PubChem CID:	49894673
Reduced:	S2O4N6H18C25 (1)
Stoich.:	A2B4C6D18E25 (1)
Weight, g/mol:	439.064507
ΔH_f, kcal/mol:	90.07
Dipole, Da:	4.49
IP(EA), eV:	-9.47(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C(=O)/C(=C/C3=CC(=C(C=C3)SC4=NN=NN4C5=CC=CC=C5)[N+](=O)[O-])/SC2=O

DOS

IR

Vibrations