Geometry & MOs

Info

ID:	218320
PubChem CID:	85089168
Reduced:	ClFO2N5C22H29 (1)
Stoich.:	ABC2D5E22F29 (1)
Weight, g/mol:	447.993681
ΔH_f, kcal/mol:	-93.78
Dipole, Da:	8.99
IP(EA), eV:	-8.6(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-hydroxy-3,4-dimethoxy-5,6-diphosphonooxycyclohexyl) dihydrogen phosphate

Drug info:

PubChemData

Smile

CCCN1C2C(C(=O)N(C1=O)CC)N(C(=N2)N3CCCCC3)CC4=C(C=CC=C4Cl)F

DOS

IR

Vibrations