Geometry & MOs

Info

ID:	67098
PubChem CID:	46505871
Reduced:	OBr2S2H14C17 (1)
Stoich.:	AB2C2D14E17 (1)
Weight, g/mol:	486.90978
ΔH_f, kcal/mol:	38.62
Dipole, Da:	2.24
IP(EA), eV:	-9.32(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E,5E)-3,5-bis[(4-bromothiophen-2-yl)methylidene]-1-propan-2-ylpiperidin-4-one

Drug info:

PubChemData

Smile

CC1C/C(=C\C2=CC(=CS2)Br)/C(=O)/C(=C/C3=CC(=CS3)Br)/C1

DOS

IR

Vibrations