Geometry & MOs

Info

ID:	154290
PubChem CID:	56313702
Reduced:	BrNF3O3C20H21 (1)
Stoich.:	ABC3D3E20F21 (1)
Weight, g/mol:	407.151492
ΔH_f, kcal/mol:	-241.5
Dipole, Da:	2.16
IP(EA), eV:	-8.71(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1Br)C(=O)CCC2=CC(=C(C=C2)OCC(F)(F)F)OC

DOS

IR

Vibrations