Geometry & MOs

Info

ID:	391510
PubChem CID:	135006050
Reduced:	NSO2C17H21 (1)
Stoich.:	ABC2D17E21 (1)
Weight, g/mol:	383.155515
ΔH_f, kcal/mol:	-19.21
Dipole, Da:	5.48
IP(EA), eV:	-9.43(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CC(=C)[C@H]([C@H]2C3CC3)C=C

DOS

IR

Vibrations