Geometry & MOs

Info

ID:	88461
PubChem CID:	49903622
Reduced:	FSN2O7H17C25 (1)
Stoich.:	ABC2D7E17F25 (1)
Weight, g/mol:	491.078721
ΔH_f, kcal/mol:	-149.19
Dipole, Da:	9.67
IP(EA), eV:	-9.02(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3[N+](=O)[O-])OC(=O)C4=CC=CC=C4F

DOS

IR

Vibrations