Geometry & MOs

Info

ID:	66997
PubChem CID:	46505668
Reduced:	FS2N3O3H24C25 (1)
Stoich.:	AB2C3D3E24F25 (1)
Weight, g/mol:	485.220223
ΔH_f, kcal/mol:	-84.74
Dipole, Da:	1.42
IP(EA), eV:	-8.86(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E,5E)-1-benzyl-3,5-bis[(2,3-dimethoxyphenyl)methylidene]piperidin-4-one

Drug info:

PubChemData

Smile

CC1=C(SC=C1)CCN2C(C(=O)N(C2=S)C3=CC=C(C=C3)OC)CC(=O)NC4=CC=C(C=C4)F

DOS

IR

Vibrations