Geometry & MOs

Info

ID:	217255
PubChem CID:	85087508
Reduced:	BrO2C18H19 (1)
Stoich.:	AB2C18D19 (1)
Weight, g/mol:	347.077004
ΔH_f, kcal/mol:	-20.5
Dipole, Da:	3.49
IP(EA), eV:	-9.37(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 3,4-dihydroxy-2-(phosphonooxymethyl)pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

COCOC(C1=CC=CC=C1)C(C2=CC=CC=C2)C(=C)Br

DOS

IR

Vibrations