Geometry & MOs

Info

ID:	157564
PubChem CID:	56435710
Reduced:	F2O2N3C21H25 (1)
Stoich.:	A2B2C3D21E25 (1)
Weight, g/mol:	335.1919
ΔH_f, kcal/mol:	-151.79
Dipole, Da:	6.13
IP(EA), eV:	-8.76(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzylsulfanyl-3-methyl-1-(2,2,6-trimethylmorpholin-4-yl)butan-1-one

Drug info:

PubChemData

Smile

CC(C)CC(=O)NC(C1=CC=CC=C1)C(=O)NC2=CC(=C(C(=C2)F)N(C)C)F

DOS

IR

Vibrations