Geometry & MOs

Info

ID:	309452
PubChem CID:	126546356
Reduced:	FC9H12 (2)
Stoich.:	AB9C12 (2)
Weight, g/mol:	326.141262
ΔH_f, kcal/mol:	-111.72
Dipole, Da:	3.04
IP(EA), eV:	-9.74(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-pyridin-3-ylsulfinamoylpiperazine-1-carboxylate

Drug info:

PubChemData

Smile

C1CCC(CC1)C2CCC(CC2)C3=C(C(=CC=C3)F)F

DOS

IR

Vibrations