Geometry & MOs

Info

ID:	381458
PubChem CID:	134972205
Reduced:	IN2O2C12H13 (1)
Stoich.:	AB2C2D12E13 (1)
Weight, g/mol:	317.093309
ΔH_f, kcal/mol:	-2.07
Dipole, Da:	4.63
IP(EA), eV:	-9.07(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,4R,5S)-2,5-bis(hydroxymethyl)-1-(4-methylphenyl)sulfonylpyrrolidine-3,4-diol

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)CN2C=CN=C2I)OC

DOS

IR

Vibrations