Geometry & MOs

Info

ID:	445589
PubChem CID:	135268339
Reduced:	N2P2F3O6H19C21 (1)
Stoich.:	A2B2C3D6E19F21 (1)
Weight, g/mol:	176.068473
ΔH_f, kcal/mol:	-382.34
Dipole, Da:	1.4
IP(EA), eV:	-9.16(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(hydroxymethyl)-2-oxabicyclo[4.1.0]heptane-4,5,6-triol

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)P)OC2=C(C=CC(=C2)C(F)(F)F)C(=O)NC3=CC(=O)N(C=C3)COP(O)O

DOS

IR

Vibrations