Geometry & MOs

Info

ID:	264931
PubChem CID:	103504176
Reduced:	ClFNO2S2H11C13 (1)
Stoich.:	ABCD2E2F11G13 (1)
Weight, g/mol:	398.97291
ΔH_f, kcal/mol:	-80.23
Dipole, Da:	5.2
IP(EA), eV:	-8.76(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-bromo-5-(chloromethyl)thiophen-3-yl]sulfonyl-4-propan-2-ylpiperidine

Drug info:

PubChemData

Smile

C1CN(C2=C1C=CC(=C2)F)S(=O)(=O)C3=CC(=CS3)CCl

DOS

IR

Vibrations