Geometry & MOs

Info

ID:	153872
PubChem CID:	56313204
Reduced:	SN2F3O5C19H21 (1)
Stoich.:	AB2C3D5E19F21 (1)
Weight, g/mol:	391.225977
ΔH_f, kcal/mol:	-323.34
Dipole, Da:	3.9
IP(EA), eV:	-8.45(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CCC(=O)NC2=CC=C(C=C2)NS(=O)(=O)C)OCC(F)(F)F

DOS

IR

Vibrations