Geometry & MOs

Info

ID:	57758
PubChem CID:	24277068
Reduced:	SN2O3C14H20 (1)
Stoich.:	AB2C3D14E20 (1)
Weight, g/mol:	295.135448
ΔH_f, kcal/mol:	-79.47
Dipole, Da:	4.18
IP(EA), eV:	-8.59(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OC)C(C(=S)N)N2CCOCC2

DOS

IR

Vibrations