Geometry & MOs

Info

ID:	278298
PubChem CID:	103834699
Reduced:	SCl2N2O3C9H10 (1)
Stoich.:	AB2C2D3E9F10 (1)
Weight, g/mol:	320.02337
ΔH_f, kcal/mol:	-104.17
Dipole, Da:	3.72
IP(EA), eV:	-10.07(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-(4-chloro-2-methyl-5-nitrophenyl)sulfonylpyrrolidin-3-ol

Drug info:

PubChemData

Smile

C1CN(C[C@@H]1O)S(=O)(=O)C2=CC(=C(N=C2)Cl)Cl

DOS

IR

Vibrations