Geometry & MOs

Info

ID:	245010
PubChem CID:	99432124
Reduced:	N3O5H17C21 (1)
Stoich.:	A3B5C17D21 (1)
Weight, g/mol:	484.166808
ΔH_f, kcal/mol:	-60.06
Dipole, Da:	1.85
IP(EA), eV:	-9.52(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[(1-benzylsulfonylpiperidine-4-carbonyl)amino]methyl]-1-benzofuran-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=CC=CC=C2O1)CNC(=O)C3=NOC(=C3)C4=CN=CC=C4

DOS

IR

Vibrations