Geometry & MOs

Info

ID:	67018
PubChem CID:	46505710
Reduced:	NOS2H23C24 (1)
Stoich.:	ABC2D23E24 (1)
Weight, g/mol:	486.90978
ΔH_f, kcal/mol:	63.23
Dipole, Da:	4.34
IP(EA), eV:	-8.94(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC=C1)/C=C\2/C(=O)/C(=C/C3=C(C=CS3)C)/CN(C2)CC4=CC=CC=C4

DOS

IR

Vibrations