Geometry & MOs

Info

ID:	304426
PubChem CID:	124593846
Reduced:	BrSN2O3C14H19 (1)
Stoich.:	ABC2D3E14F19 (1)
Weight, g/mol:	330.01345
ΔH_f, kcal/mol:	-116.97
Dipole, Da:	4.68
IP(EA), eV:	-9.18(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S)-3-aminopiperidin-1-yl]-2-(2-bromo-4-chlorophenyl)ethanone

Drug info:

PubChemData

Smile

C1C[C@H](CN(C1)C(=O)CS(=O)(=O)CC2=CC(=CC=C2)Br)N

DOS

IR

Vibrations