Geometry & MOs

Info

ID:	223762
PubChem CID:	85335538
Reduced:	ClFSN3O5C25H31 (1)
Stoich.:	ABCD3E5F25G31 (1)
Weight, g/mol:	539.165698
ΔH_f, kcal/mol:	-230.74
Dipole, Da:	1.46
IP(EA), eV:	-9.1(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(3-chlorophenyl)sulfonyl-6-(3-fluorophenyl)piperidin-2-yl]methyl 4-(2-hydroxyethyl)piperazine-1-carboxylate

Drug info:

PubChemData

Smile

C1CC(N(C(C1)C2=CC=CC=C2F)S(=O)(=O)C3=CC=C(C=C3)Cl)COC(=O)N4CCN(CC4)CCO

DOS

IR

Vibrations