Geometry & MOs

Info

ID:	232012
PubChem CID:	87575133
Reduced:	F4O4N5H15C17 (1)
Stoich.:	A4B4C5D15E17 (1)
Weight, g/mol:	422.106706
ΔH_f, kcal/mol:	-309.81
Dipole, Da:	3.27
IP(EA), eV:	-9.26(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[4-(2-chlorophenyl)phenyl]piperidin-4-yl] 1-amino-1-oxopropane-2-sulfonate

Drug info:

PubChemData

Smile

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NC3=CC=C(C=C3)OC(C(F)F)(F)F

DOS

IR

Vibrations