Geometry & MOs

Info

ID:	202997
PubChem CID:	79759392
Reduced:	NOF3C15H20 (1)
Stoich.:	ABC3D15E20 (1)
Weight, g/mol:	273.103479
ΔH_f, kcal/mol:	-178.18
Dipole, Da:	3.04
IP(EA), eV:	-9.23(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-methyloxolane-3-carbonyl)thiomorpholin-3-yl]acetic acid

Drug info:

PubChemData

Smile

CCCNC(C1CCOC1C)C2=C(C=C(C=C2F)F)F

DOS

IR

Vibrations