Geometry & MOs

Info

ID:	381124
PubChem CID:	134971772
Reduced:	SC14H20 (1)
Stoich.:	AB14C20 (1)
Weight, g/mol:	325.134779
ΔH_f, kcal/mol:	43.22
Dipole, Da:	3.1
IP(EA), eV:	-7.86(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 1-(4-methylphenyl)sulfonylpyrrolidine-3-carboxylate

Drug info:

PubChemData

Smile

CC/C=C(\[C@H](C)C1=CC=CC=C1)/S(=C)C

DOS

IR

Vibrations