Geometry & MOs

Info

ID:	222511
PubChem CID:	85301071
Reduced:	O7C19H20 (1)
Stoich.:	A7B19C20 (1)
Weight, g/mol:	363.132441
ΔH_f, kcal/mol:	-254.05
Dipole, Da:	3.47
IP(EA), eV:	-8.47(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylphenyl)sulfonyl-5-(4-trimethylsilylbut-2-ynyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC(=O)OC1CC2=C(C=C(C=C2OC1C3=CC(=C(C=C3)OC)OC)O)O

DOS

IR

Vibrations