Geometry & MOs

Info

ID:	133531
PubChem CID:	51542064
Reduced:	SF3N4O4H15C16 (1)
Stoich.:	AB3C4D4E15F16 (1)
Weight, g/mol:	375.150429
ΔH_f, kcal/mol:	-179.01
Dipole, Da:	5.76
IP(EA), eV:	-9.32(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-methylphenoxy)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]butanamide

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NC=C(C=C2)C(F)(F)F)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

DOS

IR

Vibrations