Geometry & MOs

Info

ID:	5288
PubChem CID:	12908
Reduced:	NCl2O4C13H15 (1)
Stoich.:	AB2C4D13E15 (1)
Weight, g/mol:	319.037813
ΔH_f, kcal/mol:	-166.26
Dipole, Da:	5.32
IP(EA), eV:	-10.02(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(4-acetylphenyl)-1,3-dihydroxypropan-2-yl]-2,2-dichloroacetamide

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)[C@H](C(CO)NC(=O)C(Cl)Cl)O

DOS

IR

Vibrations