Geometry & MOs

Info

ID:	165193
PubChem CID:	74515139
Reduced:	Cl2N3O4H11C16 (1)
Stoich.:	A2B3C4D11E16 (1)
Weight, g/mol:	482.151158
ΔH_f, kcal/mol:	-17.02
Dipole, Da:	5.13
IP(EA), eV:	-9.81(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[2,4-dioxo-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]ethyl]-3-(2-methylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)[N+](=O)[O-])C=CC(=O)NNC(=O)C2=C(C=CC(=C2)Cl)Cl

DOS

IR

Vibrations