Geometry & MOs

Info

ID:	178088
PubChem CID:	76275323
Reduced:	ClN2O3H23C24 (1)
Stoich.:	AB2C3D23E24 (1)
Weight, g/mol:	497.178456
ΔH_f, kcal/mol:	-86.76
Dipole, Da:	5.09
IP(EA), eV:	-8.52(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-cyclopentyloxypyridin-4-yl)methyl]-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanamide

Drug info:

PubChemData

Smile

CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)NC3=C(C=CC(=C3)N4CCCC4=O)Cl

DOS

IR

Vibrations