Geometry & MOs

Info

ID:	179608
PubChem CID:	76510787
Reduced:	PC3O6H7 (2)
Stoich.:	AB3C6D7 (2)
Weight, g/mol:	273.082407
ΔH_f, kcal/mol:	-656.27
Dipole, Da:	2.34
IP(EA), eV:	-10.29(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]-2,2,2-trifluoroacetamide

Drug info:

PubChemData

Smile

C(C1C(C(C(C(O1)O)O)OP(=O)(O)O)OP(=O)(O)O)O

DOS

IR

Vibrations