Geometry & MOs

Info

ID:	212443
PubChem CID:	81060555
Reduced:	SN3C17H21 (1)
Stoich.:	AB3C17D21 (1)
Weight, g/mol:	303.120547
ΔH_f, kcal/mol:	27.57
Dipole, Da:	4.33
IP(EA), eV:	-8.59(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(3-fluorophenyl)ethylamino]-2,6-dimethylpyridine-3-carbothioamide

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)NC2=C(C(=NC(=C2)C)C)C(=S)N

DOS

IR

Vibrations