Geometry & MOs

Info

ID:	214284
PubChem CID:	84974905
Reduced:	SN3O4C18H25 (1)
Stoich.:	AB3C4D18E25 (1)
Weight, g/mol:	331.165782
ΔH_f, kcal/mol:	-157.08
Dipole, Da:	6.94
IP(EA), eV:	-8.65(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

ethyl 3-[(3-carbamoylpiperidin-1-ium-1-yl)methyl]-1-benzofuran-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC=C1C2CC2)NC(=O)CN3CCCC(C3)C(=O)N

DOS

IR

Vibrations