Geometry & MOs

Info

ID:	57726
PubChem CID:	24276832
Reduced:	SN3C12H17 (1)
Stoich.:	AB3C12D17 (1)
Weight, g/mol:	277.124883
ΔH_f, kcal/mol:	35.79
Dipole, Da:	5.85
IP(EA), eV:	-8.72(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-acetylpiperazin-1-yl)-2-phenylethanethioamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C(C2=CN=CC=C2)C(=S)N

DOS

IR

Vibrations