Geometry & MOs

Info

ID:	278300
PubChem CID:	103834703
Reduced:	SN2O3C14H16 (1)
Stoich.:	AB2C3D14E16 (1)
Weight, g/mol:	262.017891
ΔH_f, kcal/mol:	-85.55
Dipole, Da:	4.39
IP(EA), eV:	-9.67(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-(6-chloropyridin-3-yl)sulfonylpyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC1=C2C(=C(C=C1)S(=O)(=O)N3CC[C@H](C3)O)C=CC=N2

DOS

IR

Vibrations