Geometry & MOs

Info

ID:	391511
PubChem CID:	135006053
Reduced:	NSO3C22H25 (1)
Stoich.:	ABC3D22E25 (1)
Weight, g/mol:	383.155515
ΔH_f, kcal/mol:	-59.48
Dipole, Da:	6.5
IP(EA), eV:	-8.69(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,4Z)-3-ethenyl-4-[(4-methoxyphenyl)methylidene]-2-methyl-1-(4-methylphenyl)sulfonylpyrrolidine

Drug info:

PubChemData

Smile

C[C@@H]1[C@H](/C(=C/C2=CC=C(C=C2)OC)/CN1S(=O)(=O)C3=CC=C(C=C3)C)C=C

DOS

IR

Vibrations