Geometry & MOs

Info

ID:	188754
PubChem CID:	77762335
Reduced:	FSN2O6C24H27 (1)
Stoich.:	ABC2D6E24F27 (1)
Weight, g/mol:	503.254397
ΔH_f, kcal/mol:	-239.25
Dipole, Da:	4.75
IP(EA), eV:	-8.94(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[4-[3-[4-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-3-fluorophenoxy]propyl]piperazin-1-yl]-1-oxopropan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CC(C(NC(CC1=CC(=C(C=C1)O)NS(=O)(=O)C2=CC=C(C=C2)F)CO)OC3=CC=CC=C3)O

DOS

IR

Vibrations