Geometry & MOs

Info

ID:	244626
PubChem CID:	99368437
Reduced:	ClOSN4C16H19 (1)
Stoich.:	ABCD4E16F19 (1)
Weight, g/mol:	350.09681
ΔH_f, kcal/mol:	9.38
Dipole, Da:	7.73
IP(EA), eV:	-9.0(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CCCN(C1)C(=O)C2=CC(=C(N=C2)SC3=NC=CN3C)Cl

DOS

IR

Vibrations