Geometry & MOs

Info

ID:	358831
PubChem CID:	127296699
Reduced:	SN2O3C18H24 (1)
Stoich.:	AB2C3D18E24 (1)
Weight, g/mol:	348.08116
ΔH_f, kcal/mol:	-97.75
Dipole, Da:	3.77
IP(EA), eV:	-9.51(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-chloro-6-(1-methylimidazol-2-yl)sulfanylpyridin-3-yl]-(4-methylidenepiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

C=C1CCN(CC1)C(=O)C2=CC=CC(=C2)CN3CCS(=O)(=O)CC3

DOS

IR

Vibrations