Geometry & MOs

Info

ID:	87614
PubChem CID:	49895830
Reduced:	SN4O6C26H28 (1)
Stoich.:	AB4C6D26E28 (1)
Weight, g/mol:	452.155849
ΔH_f, kcal/mol:	-110.03
Dipole, Da:	6.64
IP(EA), eV:	-8.8(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(2,5-dimethyl-1-naphthalen-1-ylpyrrol-3-yl)methylidene]-3-[(4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CC(=C(C=C3N4CCOCC4)N5CCOCC5)[N+](=O)[O-])/SC2=O

DOS

IR

Vibrations