Geometry & MOs

Info

ID:	240428
PubChem CID:	93578450
Reduced:	ClNSO4C20H24 (1)
Stoich.:	ABCD4E20F24 (1)
Weight, g/mol:	415.155036
ΔH_f, kcal/mol:	-133.3
Dipole, Da:	5.28
IP(EA), eV:	-9.06(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-(4-chlorophenoxy)-3-[(3-ethoxyphenyl)methyl-(furan-2-ylmethyl)amino]propan-2-ol

Drug info:

PubChemData

Smile

C1CS(=O)(=O)C[C@@H]1N(CC2=CC=CC=C2)C[C@@H](COC3=CC=C(C=C3)Cl)O

DOS

IR

Vibrations