Geometry & MOs

Info

ID:	87602
PubChem CID:	49895699
Reduced:	SN2O6H18C25 (1)
Stoich.:	AB2C6D18E25 (1)
Weight, g/mol:	416.155849
ΔH_f, kcal/mol:	-77.9
Dipole, Da:	1.98
IP(EA), eV:	-9.37(-2.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations