Geometry & MOs

Info

ID:	304425
PubChem CID:	124590917
Reduced:	INOF2H4C7 (1)
Stoich.:	ABCD2E4F7 (1)
Weight, g/mol:	374.02998
ΔH_f, kcal/mol:	-92.77
Dipole, Da:	2.84
IP(EA), eV:	-9.9(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R)-3-aminopiperidin-1-yl]-2-[(3-bromophenyl)methylsulfonyl]ethanone

Drug info:

PubChemData

Smile

C1=C(C(=CC(=C1I)F)F)C(=O)N

DOS

IR

Vibrations