Geometry & MOs

Info

ID:	85141
PubChem CID:	49872053
Reduced:	OF2N3H13C15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	524.263485
ΔH_f, kcal/mol:	-73.67
Dipole, Da:	5.3
IP(EA), eV:	-9.12(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-3-[4-[5-(2-cyclopentyl-6-methoxypyridin-4-yl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxy-N-methylacetamide

Drug info:

PubChemData

Smile

CC1=C(C=NC=C1)N2CCN(C2=O)C3=CC(=C(C=C3)F)F

DOS

IR

Vibrations