Geometry & MOs

Info

ID:	69478
PubChem CID:	47190812
Reduced:	OSF3N3C12H16 (1)
Stoich.:	ABC3D3E12F16 (1)
Weight, g/mol:	298.098728
ΔH_f, kcal/mol:	-189.27
Dipole, Da:	4.38
IP(EA), eV:	-8.96(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetamido-N-[(4-methylsulfonylphenyl)methyl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NCCNC1=NC=C(C=C1)C(F)(F)F)SC

DOS

IR

Vibrations