Geometry & MOs

Info

ID:	67046
PubChem CID:	46505759
Reduced:	BrSO2H13C16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	324.01835
ΔH_f, kcal/mol:	-11.09
Dipole, Da:	3.87
IP(EA), eV:	-9.3(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-[(5-bromothiophen-2-yl)methylidene]-5-cyclopentylcyclopentan-1-one

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C(=O)/C(=C/C3=CC=C(S3)Br)/CC2

DOS

IR

Vibrations