Geometry & MOs

Info

ID:	80139
PubChem CID:	49833219
Reduced:	SF3O7C36H37 (1)
Stoich.:	AB3C7D36E37 (1)
Weight, g/mol:	237.99933
ΔH_f, kcal/mol:	-386.64
Dipole, Da:	9.56
IP(EA), eV:	-8.78(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-(4-bromophenyl)cyclopentan-1-one

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4(C3([C@H](C[C@@]2(C1(C(=O)OCF)OC(=O)C5=CC=C(C=C5)OC6=CC(=CC=C6)SC)C)O)F)C)F

DOS

IR

Vibrations