Geometry & MOs

Info

ID:	143764
PubChem CID:	53257127
Reduced:	SN4F6C20H20 (1)
Stoich.:	AB4C6D20E20 (1)
Weight, g/mol:	396.057838
ΔH_f, kcal/mol:	-264.34
Dipole, Da:	5.25
IP(EA), eV:	-8.71(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,4-dichlorophenyl)-N-(6-methoxypyridin-2-yl)piperazine-1-carbothioamide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=C1)NC(=S)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)C(F)(F)F)C

DOS

IR

Vibrations