Geometry & MOs

Info

ID:	87415
PubChem CID:	49894522
Reduced:	SN3O8H17C25 (1)
Stoich.:	AB3C8D17E25 (1)
Weight, g/mol:	409.11365
ΔH_f, kcal/mol:	-77.89
Dipole, Da:	3.04
IP(EA), eV:	-9.41(-2.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-(anthracen-9-ylmethylidene)-3-[(4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2C(=O)/C(=C/C3=CC(=CC=C3)OC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-])/SC2=O

DOS

IR

Vibrations