Geometry & MOs

Info

ID:	121939
PubChem CID:	50786944
Reduced:	SN4O4C17H24 (1)
Stoich.:	AB4C4D17E24 (1)
Weight, g/mol:	458.162391
ΔH_f, kcal/mol:	-107.22
Dipole, Da:	2.17
IP(EA), eV:	-9.34(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-methoxyphenyl)ethyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(O2)C3=CC=NN3

DOS

IR

Vibrations