Geometry & MOs

Info

ID:	33601
PubChem CID:	7887134
Reduced:	OS2N4C12H12 (1)
Stoich.:	AB2C4D12E12 (1)
Weight, g/mol:	331.124215
ΔH_f, kcal/mol:	47.73
Dipole, Da:	4.7
IP(EA), eV:	-8.91(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 1-benzothiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=NC=N2)SCC3=NN=C(O3)C)C

DOS

IR

Vibrations