Geometry & MOs

Info

ID:	393741
PubChem CID:	135021587
Reduced:	NSO3C21H23 (1)
Stoich.:	ABC3D21E23 (1)
Weight, g/mol:	307.124215
ΔH_f, kcal/mol:	-50.08
Dipole, Da:	5.8
IP(EA), eV:	-9.12(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-3-ethenyl-4-(2-methoxyethylidene)-1-(4-methylphenyl)sulfonylpyrrolidine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C/C(=C/COC)/C(=C\C3=CC=CC=C3)/C2

DOS

IR

Vibrations