Geometry & MOs

Info

ID:	240390
PubChem CID:	93578144
Reduced:	NSCl2O5C25H27 (1)
Stoich.:	ABC2D5E25F27 (1)
Weight, g/mol:	441.117685
ΔH_f, kcal/mol:	-162.47
Dipole, Da:	3.98
IP(EA), eV:	-8.7(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[(2-chloro-6-fluorophenyl)methyl-[(3R)-1,1-dioxothiolan-3-yl]amino]-3-(4-methylphenoxy)propan-2-ol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OC[C@@H](CN(CC2=CC=C(O2)C3=C(C=CC(=C3)Cl)Cl)[C@@H]4CCS(=O)(=O)C4)O

DOS

IR

Vibrations