Geometry & MOs

Info

ID:	145100
PubChem CID:	53461578
Reduced:	ClN3O4C23H28 (1)
Stoich.:	AB3C4D23E28 (1)
Weight, g/mol:	364.092495
ΔH_f, kcal/mol:	-174.23
Dipole, Da:	0.85
IP(EA), eV:	-9.06(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-chlorophenoxy)-2-hydroxypropoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

C[NH+](C)CCCN1C(=O)C2C3CC(C2C1=O)C(C3)OC(=O)C4=CNC5=CC=CC=C54.[Cl-]

DOS

IR

Vibrations