Geometry & MOs

Info

ID:	390724
PubChem CID:	135000554
Reduced:	ClNO5H16C20 (1)
Stoich.:	ABC5D16E20 (1)
Weight, g/mol:	353.14495
ΔH_f, kcal/mol:	76.11
Dipole, Da:	33.1
IP(EA), eV:	-8.53(-3.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methylidene-1-(4-methylphenyl)sulfonyl-4-[(Z)-3-phenylprop-2-enyl]pyrrolidine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=CC3=CC4=CC=CC=[N+]4C=C3C=C2.[O-]Cl(=O)(=O)=O

DOS

IR

Vibrations