Geometry & MOs

Info

ID:	447584
PubChem CID:	135284003
Reduced:	ClN2S2O5H7C11 (1)
Stoich.:	AB2C2D5E7F11 (1)
Weight, g/mol:	229.107834
ΔH_f, kcal/mol:	-129.68
Dipole, Da:	6.18
IP(EA), eV:	-9.63(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R)-4-(difluoromethyl)-2-(4-fluorophenyl)piperidine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1S(=O)(=O)N(C2=CSC=N2)C(=O)O)Cl)C=O

DOS

IR

Vibrations