Geometry & MOs

Info

ID:	446658
PubChem CID:	135276693
Reduced:	FN5O9C21H40 (1)
Stoich.:	AB5C9D21E40 (1)
Weight, g/mol:	152.010742
ΔH_f, kcal/mol:	-465.05
Dipole, Da:	3.96
IP(EA), eV:	-9.55(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(difluoromethyl)-2,3-dihydro-1,4-oxathiine

Drug info:

PubChemData

Smile

CNC1C(C2[C@H](CC(C(O2)OC3C(CC(C(C3F)O)N)N)N)OC1OC4CC(C(C(O4)CO)N)O)O

DOS

IR

Vibrations