Geometry & MOs

Info

ID:	175992
PubChem CID:	75978986
Reduced:	BrSN2O3C16H22 (1)
Stoich.:	ABC2D3E16F22 (1)
Weight, g/mol:	400.04563
ΔH_f, kcal/mol:	-93.6
Dipole, Da:	7.11
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755180
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-(1,1-dioxo-4-piperidin-1-ylthiolan-3-yl)benzamide

Drug info:

PubChemData

Smile

C1CC[NH+](CC1)C2CS(=O)(=O)CC2NC(=O)C3=CC=CC=C3Br

DOS

IR

Vibrations