Geometry & MOs

Info

ID:	200561
PubChem CID:	79411151
Reduced:	N3O3C14H17 (1)
Stoich.:	A3B3C14D17 (1)
Weight, g/mol:	303.077658
ΔH_f, kcal/mol:	-51.3
Dipole, Da:	5.54
IP(EA), eV:	-9.29(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-1-(3,4-dimethoxyphenyl)sulfonylpyrrolidine-3,4-diol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC(=NO2)CN3C[C@H]([C@H](C3)O)O

DOS

IR

Vibrations