Geometry & MOs

Info

ID:	343072
PubChem CID:	127266245
Reduced:	NSO4C12H15 (1)
Stoich.:	ABC4D12E15 (1)
Weight, g/mol:	344.086449
ΔH_f, kcal/mol:	-96.13
Dipole, Da:	5.93
IP(EA), eV:	-9.76(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[dimethyl(oxo)-lambda6-sulfanylidene]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC)S(=O)(=O)NC(CO)C#C

DOS

IR

Vibrations