Geometry & MOs

Info

ID:	282516
PubChem CID:	103928988
Reduced:	SN2O3C9H20 (1)
Stoich.:	AB2C3D9E20 (1)
Weight, g/mol:	293.190341
ΔH_f, kcal/mol:	-156.81
Dipole, Da:	6.83
IP(EA), eV:	-9.62(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]-3,3-dimethylbutan-1-one

Drug info:

PubChemData

Smile

CC(C)(C)[C@H](C(=O)NCCS(=O)(=O)C)N

DOS

IR

Vibrations