Geometry & MOs

Info

ID:	57416
PubChem CID:	22395865
Reduced:	SCl2N2O8C22H22 (1)
Stoich.:	AB2C2D8E22F22 (1)
Weight, g/mol:	470.167557
ΔH_f, kcal/mol:	-260.19
Dipole, Da:	3.67
IP(EA), eV:	-9.11(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(N(C1)S(=O)(=O)C2=CC(=CC(=C2)Cl)Cl)C(=O)CC(=O)ONC(CC3=CC=C(C=C3)O)C(=O)O

DOS

IR

Vibrations