Geometry & MOs

Info

ID:	172558
PubChem CID:	75524728
Reduced:	SN2O3C11H22 (1)
Stoich.:	AB2C3D11E22 (1)
Weight, g/mol:	410.144199
ΔH_f, kcal/mol:	-133.53
Dipole, Da:	7.36
IP(EA), eV:	-8.72(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3Z,5Z)-3,5-bis[(3-fluoro-4-methoxyphenyl)methylidene]-4-oxopiperidin-1-yl]acetonitrile

Drug info:

PubChemData

Smile

CC(CS(=O)C)N(C)C(=O)NCC1CCCO1

DOS

IR

Vibrations