Geometry & MOs

Info

ID:	265621
PubChem CID:	103533736
Reduced:	OSN3C12H17 (1)
Stoich.:	ABC3D12E17 (1)
Weight, g/mol:	204.093249
ΔH_f, kcal/mol:	2.03
Dipole, Da:	2.44
IP(EA), eV:	-8.74(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dimethoxypyrrolidin-1-yl)ethanethioamide

Drug info:

PubChemData

Smile

COC1CCN(C1)CC2=C(N=CC=C2)C(=S)N

DOS

IR

Vibrations