Geometry & MOs

Info

ID:	57752
PubChem CID:	24276980
Reduced:	SN2O2C14H20 (1)
Stoich.:	AB2C2D14E20 (1)
Weight, g/mol:	295.135448
ΔH_f, kcal/mol:	-51.15
Dipole, Da:	5.1
IP(EA), eV:	-8.62(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dimethoxyphenyl)-2-piperazin-1-ylethanethioamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1)C(C(=S)N)N2CCOCC2

DOS

IR

Vibrations