Geometry & MOs

Info

ID:	311483
PubChem CID:	126592949
Reduced:	BrFO2N4C22H24 (1)
Stoich.:	ABC2D4E22F24 (1)
Weight, g/mol:	389.99233
ΔH_f, kcal/mol:	-64.67
Dipole, Da:	6.28
IP(EA), eV:	-9.23(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

4-[2-amino-2-(3-bromo-4-fluorophenyl)iminoacetyl]piperidine-1-sulfinate

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)NC(=O)N2CCC(CC2)C(=O)C(=NC3=CC(=C(C=C3)F)Br)N

DOS

IR

Vibrations