Geometry & MOs

Info

ID:	46132
PubChem CID:	10522311
Reduced:	SN3O6C14H19 (1)
Stoich.:	AB3C6D14E19 (1)
Weight, g/mol:	357.160994
ΔH_f, kcal/mol:	-187.68
Dipole, Da:	7.48
IP(EA), eV:	-9.36(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-4-[(4S,5S)-2,2,4-trimethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-5-yl]butane-1,2-diol

Drug info:

PubChemData

Smile

CC(=O)N1CCN(C(C1)C(=O)NO)S(=O)(=O)C2=CC=C(C=C2)OC

DOS

IR

Vibrations