Geometry & MOs

Info

ID:	240370
PubChem CID:	93578014
Reduced:	ClNSO5C24H26 (1)
Stoich.:	ABCD5E24F26 (1)
Weight, g/mol:	459.151572
ΔH_f, kcal/mol:	-142.28
Dipole, Da:	6.63
IP(EA), eV:	-9.09(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[[(3R)-1,1-dioxothiolan-3-yl]-[[5-(4-fluorophenyl)furan-2-yl]methyl]amino]-3-phenoxypropan-2-ol

Drug info:

PubChemData

Smile

C1CS(=O)(=O)C[C@@H]1N(CC2=CC=C(O2)C3=CC(=CC=C3)Cl)C[C@@H](COC4=CC=CC=C4)O

DOS

IR

Vibrations