Geometry & MOs

Info

ID:	43536
PubChem CID:	10321434
Reduced:	FN2O3C27H29 (1)
Stoich.:	AB2C3D27E29 (1)
Weight, g/mol:	448.145678
ΔH_f, kcal/mol:	-114.32
Dipole, Da:	6.47
IP(EA), eV:	-8.97(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-naphthalen-1-ylsulfonylpiperidin-2-yl)methyl]-1-benzofuran-4-carboxamide

Drug info:

PubChemData

Smile

C1CC2CC3(CCC(=O)O3)CC1N2CCC(C4=CC=C(C=C4)F)OCC5=CC=C(C=C5)C#N

DOS

IR

Vibrations