Geometry & MOs

Info

ID:	222090
PubChem CID:	85293906
Reduced:	N2Cl3O8C21H35 (1)
Stoich.:	A2B3C8D21E35 (1)
Weight, g/mol:	553.282823
ΔH_f, kcal/mol:	-405.98
Dipole, Da:	4.64
IP(EA), eV:	-9.66(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-phenylethylamino)-4,5,6-tris(phenylmethoxy)cyclohexane-1,3-diol

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C1CCN1CC(C(C(=O)OC(C)(C)C)NC(=O)OCC(Cl)(Cl)Cl)OCOC

DOS

IR

Vibrations