Geometry & MOs

Info

ID:	141548
PubChem CID:	52893073
Reduced:	ClN2O5C20H21 (1)
Stoich.:	AB2C5D20E21 (1)
Weight, g/mol:	388.04563
ΔH_f, kcal/mol:	-157.4
Dipole, Da:	4.16
IP(EA), eV:	-8.44(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[(2S)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide

Drug info:

PubChemData

Smile

COC1=C(C=C2[C@@H](N(CCC2=C1)C(=O)C3=C(N=CC=C3)Cl)CC(=O)OC)OC

DOS

IR

Vibrations