Geometry & MOs

Info

ID:	189005
PubChem CID:	77802497
Reduced:	SF2N3O3C15H19 (1)
Stoich.:	AB2C3D3E15F19 (1)
Weight, g/mol:	446.220557
ΔH_f, kcal/mol:	-187.2
Dipole, Da:	2.17
IP(EA), eV:	-8.88(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-(3-hydroxy-5-pyridin-3-ylpentan-2-yl)oxynaphthalen-2-yl]-3-morpholin-4-ylprop-2-en-1-one

Drug info:

PubChemData

Smile

CC(C(O)O)SC(C)C(CC1=NC=NN1)(C2=C(C=C(C=C2)F)F)O

DOS

IR

Vibrations