Geometry & MOs

Info

ID:	148053
PubChem CID:	53787715
Reduced:	O3N4H12C19 (1)
Stoich.:	A3B4C12D19 (1)
Weight, g/mol:	355.18173
ΔH_f, kcal/mol:	91.5
Dipole, Da:	1.82
IP(EA), eV:	-9.42(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[4-oxo-2-(3-oxooctylidene)-1,3-thiazolidin-3-yl]heptanoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)[N+](=O)[O-])C2C(C(=N)OC3=C2C=CC4=C3C=CN=C4)C#N

DOS

IR

Vibrations