Geometry & MOs

Info

ID:	160528
PubChem CID:	57309876
Reduced:	SN5O6C21H27 (1)
Stoich.:	AB5C6D21E27 (1)
Weight, g/mol:	387.972552
ΔH_f, kcal/mol:	-169.83
Dipole, Da:	9.16
IP(EA), eV:	-8.88(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[hydroxy(phosphonooxy)phosphoryl] (1,2,3-trihydroxycyclohexyl) hydrogen phosphate

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1N(C)C(=NC)N)C(=O)OC(=O)CC(N)NS(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations