Geometry & MOs

Info

ID:	374880
PubChem CID:	131349628
Reduced:	BrOSF2H7C10 (1)
Stoich.:	ABCD2E7F10 (1)
Weight, g/mol:	222.067428
ΔH_f, kcal/mol:	-109.28
Dipole, Da:	3.69
IP(EA), eV:	-8.83(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-hydroxypropylsulfonyl)piperazin-2-one

Drug info:

PubChemData

Smile

C1=CSC2=C(C=C(C(=C21)CBr)C(F)F)O

DOS

IR

Vibrations