Geometry & MOs

Info

ID:	403391
PubChem CID:	135060011
Reduced:	ON2H18C25 (1)
Stoich.:	AB2C18D25 (1)
Weight, g/mol:	333.085721
ΔH_f, kcal/mol:	83.82
Dipole, Da:	3.8
IP(EA), eV:	-8.57(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(1,3-dithiolan-2-yl)pyrrol-1-yl]-1-(4-methoxyphenyl)propan-1-one

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C3=C1N=C(C=C3C4=CC=CC=C4)C(=O)C5=CC=CC=C5

DOS

IR

Vibrations