Geometry & MOs

Info

ID:	208752
PubChem CID:	80577951
Reduced:	BrClNO2S2C14H15 (1)
Stoich.:	ABCD2E2F14G15 (1)
Weight, g/mol:	358.90523
ΔH_f, kcal/mol:	-35.2
Dipole, Da:	4.67
IP(EA), eV:	-9.34(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpiperidin-4-ol

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(S2)Br)Cl

DOS

IR

Vibrations