Geometry & MOs

Info

ID:	161305
PubChem CID:	57391305
Reduced:	ClSO2N4C28H33 (1)
Stoich.:	ABC2D4E28F33 (1)
Weight, g/mol:	379.117291
ΔH_f, kcal/mol:	-16.35
Dipole, Da:	0.72
IP(EA), eV:	-8.64(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chlorophenyl)-1-[3-(4-fluorophenyl)sulfinylpropyl]piperidine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN[C@@H]2CC[C@@H]([C@H](C2)C3=CSC=C3)C(=O)N4CCN(CC4)C5=NC=C(C=C5)Cl

DOS

IR

Vibrations