Geometry & MOs

Info

ID:	30658
PubChem CID:	841631
Reduced:	ClON3C19H22 (1)
Stoich.:	ABC3D19E22 (1)
Weight, g/mol:	322.96493
ΔH_f, kcal/mol:	-11.3
Dipole, Da:	5.78
IP(EA), eV:	-8.77(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)NC3=CC=C(C=C3)Cl)C

DOS

IR

Vibrations