Geometry & MOs

Info

ID:	403250
PubChem CID:	135059381
Reduced:	NOH8F9C16 (1)
Stoich.:	ABC8D9E16 (1)
Weight, g/mol:	511.21196
ΔH_f, kcal/mol:	-468.42
Dipole, Da:	7.17
IP(EA), eV:	-9.74(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)C(F)(F)F)C(F)(F)F)C(=O)NC2=CC=C(C=C2)C(F)(F)F

DOS

IR

Vibrations