Geometry & MOs

Info

ID:	39336
PubChem CID:	8140331
Reduced:	FSO2N4C20H22 (1)
Stoich.:	ABC2D4E20F22 (1)
Weight, g/mol:	414.19483
ΔH_f, kcal/mol:	-9.84
Dipole, Da:	5.49
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.998336
Charge, e:	1

Chem-info

IUPAC name:

[2-[[[1-(4-chlorobenzoyl)piperidine-4-carbonyl]amino]methyl]phenyl]methyl-dimethylazanium

Drug info:

PubChemData

Smile

C[NH+](C)CC1=CC=CC=C1CNC(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)F

DOS

IR

Vibrations