Geometry & MOs

Info

ID:	15734
PubChem CID:	448331
Reduced:	FP2C10O14H17 (1)
Stoich.:	AB2C10D14E17 (1)
Weight, g/mol:	442.007757
ΔH_f, kcal/mol:	-800.59
Dipole, Da:	2.48
IP(EA), eV:	-10.69(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S,5R)-3-[(1R)-1-carboxy-2-fluoro-1-phosphonooxyethoxy]-4-hydroxy-5-phosphonooxycyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1[C@H]([C@@H]([C@@H](CC1C(=O)O)OP(=O)(O)O)O)O[C@](CF)(C(=O)O)OP(=O)(O)O

DOS

IR

Vibrations