Geometry & MOs

Info

ID:	229460
PubChem CID:	87567711
Reduced:	KO2C11H18 (2)
Stoich.:	AB2C11D18 (2)
Weight, g/mol:	387.112685
ΔH_f, kcal/mol:	-310.59
Dipole, Da:	10.94
IP(EA), eV:	-8.38(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopropyl-2-(2-fluorophenyl)-2-[(3Z)-4-sulfanyl-3-(thiophen-3-ylmethylidene)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C/C(=C\CCCCCCC(=O)[O-])/CC/C(=C/CCCCCCC(=O)[O-])/C.[K+].[K+]

DOS

IR

Vibrations