Geometry & MOs

Info

ID:	57736
PubChem CID:	24276912
Reduced:	SN2O2C13H18 (1)
Stoich.:	AB2C2D13E18 (1)
Weight, g/mol:	279.140533
ΔH_f, kcal/mol:	-43.09
Dipole, Da:	4.06
IP(EA), eV:	-8.53(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanethioamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C(C(=S)N)N2CCOCC2

DOS

IR

Vibrations