Geometry & MOs

Info

ID:	88139
PubChem CID:	49901828
Reduced:	SN2O5H12C16 (1)
Stoich.:	AB2C5D12E16 (1)
Weight, g/mol:	416.083078
ΔH_f, kcal/mol:	-57.31
Dipole, Da:	8.59
IP(EA), eV:	-9.07(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(2-nitrophenyl)methyl]-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=C(O1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations