Geometry & MOs

Info

ID:	226333
PubChem CID:	87350429
Reduced:	ClON2C7H7 (1)
Stoich.:	ABC2D7E7 (1)
Weight, g/mol:	394.108624
ΔH_f, kcal/mol:	-9.62
Dipole, Da:	3.74
IP(EA), eV:	-8.85(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2-hydroxy-2-[(4S,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]ethyl] 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

C1=C(C(=CN=C1Cl)N)CC=O

DOS

IR

Vibrations