Geometry & MOs

Info

ID:	88156
PubChem CID:	49901914
Reduced:	BrSN2O6H19C21 (1)
Stoich.:	ABC2D6E19F21 (1)
Weight, g/mol:	510.065235
ΔH_f, kcal/mol:	-104.13
Dipole, Da:	8.89
IP(EA), eV:	-9.18(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3[N+](=O)[O-])Br)OCC

DOS

IR

Vibrations