Geometry & MOs

Info

ID:	86768
PubChem CID:	49889118
Reduced:	NSO5H17C20 (1)
Stoich.:	ABC5D17E20 (1)
Weight, g/mol:	524.080885
ΔH_f, kcal/mol:	-133.08
Dipole, Da:	3.77
IP(EA), eV:	-9.42(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)COC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3

DOS

IR

Vibrations