Geometry & MOs

Info

ID:	28904
PubChem CID:	830473
Reduced:	ClN3O3C15H20 (1)
Stoich.:	AB3C3D15E20 (1)
Weight, g/mol:	245.073517
ΔH_f, kcal/mol:	-111.21
Dipole, Da:	3.84
IP(EA), eV:	-9.13(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-cyano-N-methyl-2-(3-methylimidazo[4,5-b]pyridin-2-yl)ethanethioamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)[C@H](CC(=O)NC2=CC=CC=C2Cl)C(=O)O

DOS

IR

Vibrations