Geometry & MOs

Info

ID:	433466
PubChem CID:	135173603
Reduced:	SN2O5C24H24 (1)
Stoich.:	AB2C5D24E24 (1)
Weight, g/mol:	470.131171
ΔH_f, kcal/mol:	-104.65
Dipole, Da:	5.63
IP(EA), eV:	-9.08(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[dimethyl(oxo)-lambda6-sulfanylidene]-4-[[6-[(5-fluoro-1,3-dihydroisoindol-2-yl)methyl]-4-oxopyran-3-yl]oxymethyl]benzamide

Drug info:

PubChemData

Smile

CS(=NC(=O)C1=CC=C(C=C1)COC2=COC(=CC2=O)CN3CC4=CC=CC=C4C3)(=O)C

DOS

IR

Vibrations