Geometry & MOs

Info

ID:	57722
PubChem CID:	24276821
Reduced:	S2N3C11H17 (1)
Stoich.:	A2B3C11D17 (1)
Weight, g/mol:	236.109568
ΔH_f, kcal/mol:	44.16
Dipole, Da:	5.56
IP(EA), eV:	-8.62(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-piperazin-1-yl-2-pyridin-2-ylethanethioamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(C2=CC=CS2)C(=S)N

DOS

IR

Vibrations