Geometry & MOs

Info

ID:	57737
PubChem CID:	24276914
Reduced:	OSN3C14H21 (1)
Stoich.:	ABC3D14E21 (1)
Weight, g/mol:	293.156184
ΔH_f, kcal/mol:	-2.21
Dipole, Da:	4.5
IP(EA), eV:	-8.43(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(C2=CC=CC=C2OC)C(=S)N

DOS

IR

Vibrations