Geometry & MOs

Info

ID:	124481
PubChem CID:	50884865
Reduced:	O2S2N4H20C33 (1)
Stoich.:	A2B2C4D20E33 (1)
Weight, g/mol:	340.071366
ΔH_f, kcal/mol:	168.67
Dipole, Da:	7.46
IP(EA), eV:	-9.1(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3S2)OCOC4=CC=CC=C4/C=C(/C#N)\C5=NC6=CC=CC=C6S5

DOS

IR

Vibrations