Geometry & MOs

Info

ID:	170263
PubChem CID:	75214580
Reduced:	O9C18H20 (1)
Stoich.:	A9B18C20 (1)
Weight, g/mol:	614.194754
ΔH_f, kcal/mol:	-372.98
Dipole, Da:	3.37
IP(EA), eV:	-9.89(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-[5-[(4-ethylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]hexyl]-2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]benzamide

Drug info:

PubChemData

Smile

CC(=O)OC1C(C2C(C(C1(C)O)O)C(=O)C3=C(C2=O)C(=CC(=C3)OC)O)O

DOS

IR

Vibrations