Geometry & MOs

Info

ID:	123237
PubChem CID:	50838939
Reduced:	SF3N3O4H20C22 (1)
Stoich.:	AB3C3D4E20F22 (1)
Weight, g/mol:	481.178376
ΔH_f, kcal/mol:	-212.92
Dipole, Da:	12.48
IP(EA), eV:	-8.96(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-methyl-5-[(Z)-2-[4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]ethenyl]-1,2-oxazol-4-yl]propanamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=C(ON=C1C)/C=C\C2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC(=C3)C(F)(F)F

DOS

IR

Vibrations