Geometry & MOs

Info

ID:	57417
PubChem CID:	22395868
Reduced:	FSN2O4C25H27 (1)
Stoich.:	ABC2D4E25F27 (1)
Weight, g/mol:	438.142485
ΔH_f, kcal/mol:	-164.7
Dipole, Da:	3.46
IP(EA), eV:	-8.68(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(3-fluorophenyl)sulfonyl-4-methylpiperidin-2-yl] 2-amino-3-(4-fluorophenyl)propanoate

Drug info:

PubChemData

Smile

CC1CCN(C(C1)OC(=O)C(CC2=CC3=CC=CC=C3C=C2)N)S(=O)(=O)C4=CC=CC(=C4)F

DOS

IR

Vibrations