Geometry & MOs

Info

ID:	402941
PubChem CID:	135057978
Reduced:	BrClNOH13C16 (1)
Stoich.:	ABCDE13F16 (1)
Weight, g/mol:	499.21196
ΔH_f, kcal/mol:	15.9
Dipole, Da:	2.12
IP(EA), eV:	-8.99(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R)-1-bromohexyl]-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpyrrolidine

Drug info:

PubChemData

Smile

C[C@@]1(C2=CC=CC=C2N=C(O1)C3=CC=CC=C3)[C@H](Cl)Br

DOS

IR

Vibrations