Geometry & MOs

Info

ID:	244785
PubChem CID:	99381460
Reduced:	BrSN3O3C15H20 (1)
Stoich.:	ABC3D3E15F20 (1)
Weight, g/mol:	358.00837
ΔH_f, kcal/mol:	-115.21
Dipole, Da:	3.78
IP(EA), eV:	-9.55(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R)-1-(4-bromo-2-chlorobenzoyl)piperidin-2-yl]acetamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)N1CCCC[C@H]1CC(=O)N)NC(=O)C2=CC=C(S2)Br

DOS

IR

Vibrations