Geometry & MOs

Info

ID:	200564
PubChem CID:	79411312
Reduced:	SN3O4C9H15 (1)
Stoich.:	AB3C4D9E15 (1)
Weight, g/mol:	233.047027
ΔH_f, kcal/mol:	-155.44
Dipole, Da:	6.7
IP(EA), eV:	-9.75(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-1-(1H-pyrazol-4-ylsulfonyl)pyrrolidine-3,4-diol

Drug info:

PubChemData

Smile

CC1=C(C(=NN1)C)S(=O)(=O)N2C[C@H]([C@H](C2)O)O

DOS

IR

Vibrations