Geometry & MOs

Info

ID:	144883
PubChem CID:	53427821
Reduced:	OF2C21H32 (1)
Stoich.:	AB2C21D32 (1)
Weight, g/mol:	245.048681
ΔH_f, kcal/mol:	-190.51
Dipole, Da:	3.03
IP(EA), eV:	-9.61(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,1-dihydroxy-1,4-thiazinan-4-yl)ethylphosphonic acid

Drug info:

PubChemData

Smile

CCCC1CCC(CC1)C2CCC(CC2)C3=CC(CC(=C3)F)(O)F

DOS

IR

Vibrations