Geometry & MOs

Info

ID:	375731
PubChem CID:	134221155
Reduced:	ClNOC10H12 (1)
Stoich.:	ABCD10E12 (1)
Weight, g/mol:	642.213616
ΔH_f, kcal/mol:	-31.56
Dipole, Da:	3.12
IP(EA), eV:	-9.39(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(hydroxymethyl)-4-methoxy-5-(2,3,4,5-tetrahydroxypentoxy)oxolan-3-yl] [2,3,4-trihydroxy-5-[4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]oxypentyl] hydrogen phosphite

Drug info:

PubChemData

Smile

C1COCC2=C(C1N)C=CC(=C2)Cl

DOS

IR

Vibrations