Geometry & MOs

Info

ID:	147629
PubChem CID:	53787285
Reduced:	O2N4C19H20 (1)
Stoich.:	A2B4C19D20 (1)
Weight, g/mol:	228.048797
ΔH_f, kcal/mol:	-20.74
Dipole, Da:	5.57
IP(EA), eV:	-9.14(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-chloropyridin-3-yl)-N,2-dimethylpropanethioamide

Drug info:

PubChemData

Smile

CCN1C(=CC(=O)C2=C1N=C(C=C2)C)C(=O)NCCC3=CC=NC=C3

DOS

IR

Vibrations