Geometry & MOs

Info

ID:	200563
PubChem CID:	79411234
Reduced:	N2Cl3O3C12H13 (1)
Stoich.:	A2B3C3D12E13 (1)
Weight, g/mol:	261.078327
ΔH_f, kcal/mol:	-133.61
Dipole, Da:	4.65
IP(EA), eV:	-9.17(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidine-3,4-diol

Drug info:

PubChemData

Smile

C1[C@H]([C@H](CN1CC(=O)NC2=CC(=C(C=C2Cl)Cl)Cl)O)O

DOS

IR

Vibrations