Geometry & MOs

Info

ID:	80455
PubChem CID:	49834544
Reduced:	SO3F4N5H23C28 (1)
Stoich.:	AB3C4D5E23F28 (1)
Weight, g/mol:	305.98671
ΔH_f, kcal/mol:	-207.35
Dipole, Da:	8.95
IP(EA), eV:	-9.96(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-[4-bromo-3-(trifluoromethyl)phenyl]cyclopentan-1-one

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NCC3=CC(=NC(=N3)C4=CC=NC=C4)C5=CC=C(C=C5)C(F)(F)F

DOS

IR

Vibrations