Geometry & MOs

Info

ID:	88450
PubChem CID:	49903574
Reduced:	BrSN2O6H13C18 (1)
Stoich.:	ABC2D6E13F18 (1)
Weight, g/mol:	574.096535
ΔH_f, kcal/mol:	-95.96
Dipole, Da:	7.38
IP(EA), eV:	-9.15(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[3-chloro-5-ethoxy-4-(naphthalen-1-ylmethoxy)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-])Br)O

DOS

IR

Vibrations