Geometry & MOs

Info

ID:	244625
PubChem CID:	99368435
Reduced:	ClOSN5C20H20 (1)
Stoich.:	ABCD5E20F20 (1)
Weight, g/mol:	350.09681
ΔH_f, kcal/mol:	60.09
Dipole, Da:	4.51
IP(EA), eV:	-8.36(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-chloro-6-(1-methylimidazol-2-yl)sulfanylpyridin-3-yl]-[(3R)-3-methylpiperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1C=CN=C1SC2=C(C=C(C=N2)C(=O)N3CCN(CC3)C4=CC=CC=C4)Cl

DOS

IR

Vibrations