Geometry & MOs

Info

ID:	380967
PubChem CID:	134971579
Reduced:	SO3C16H20 (1)
Stoich.:	AB3C16D20 (1)
Weight, g/mol:	311.134385
ΔH_f, kcal/mol:	-96.98
Dipole, Da:	3.17
IP(EA), eV:	-8.32(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-3-[[(S)-(4-methylphenyl)sulfinyl]methyl]-2,5-dihydropyrrole

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[S@@](=O)CC2=CCC3(CC2)OCCO3

DOS

IR

Vibrations