Geometry & MOs

Info

ID:	30659
PubChem CID:	841632
Reduced:	BrNO2S2C10H14 (1)
Stoich.:	ABC2D2E10F14 (1)
Weight, g/mol:	322.96493
ΔH_f, kcal/mol:	-50.48
Dipole, Da:	4.64
IP(EA), eV:	-9.46(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-(5-bromothiophen-2-yl)sulfonyl-3-methylpiperidine

Drug info:

PubChemData

Smile

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC=C(S2)Br

DOS

IR

Vibrations