Geometry & MOs

Info

ID:	60680
PubChem CID:	26697405
Reduced:	BrSN2O3C18H25 (1)
Stoich.:	ABC2D3E18F25 (1)
Weight, g/mol:	428.07693
ΔH_f, kcal/mol:	-129.85
Dipole, Da:	3.04
IP(EA), eV:	-9.62(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-cyclopentyl-5-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide

Drug info:

PubChemData

Smile

C[C@@H]1CCCCN1S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)NC3CCCC3

DOS

IR

Vibrations