Geometry & MOs

Info

ID:	154508
PubChem CID:	56313964
Reduced:	N2F3O3C24H29 (1)
Stoich.:	A2B3C3D24E29 (1)
Weight, g/mol:	486.137319
ΔH_f, kcal/mol:	-248.72
Dipole, Da:	2.32
IP(EA), eV:	-8.69(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CCC(=O)NCC2=CC=CC=C2CN3CCCC3)OCC(F)(F)F

DOS

IR

Vibrations