Geometry & MOs

Info

ID:	403011
PubChem CID:	135058303
Reduced:	BrNO2H10C12 (1)
Stoich.:	ABC2D10E12 (1)
Weight, g/mol:	443.14936
ΔH_f, kcal/mol:	-36.69
Dipole, Da:	1.64
IP(EA), eV:	-10.32(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S)-1-bromoethyl]-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpyrrolidine

Drug info:

PubChemData

Smile

C1C[C@@](OC1=O)(CBr)C2=CC=CC(=C2)C#N

DOS

IR

Vibrations