Geometry & MOs

Info

ID:	240981
PubChem CID:	93618756
Reduced:	NSO2C13H17 (1)
Stoich.:	ABC2D13E17 (1)
Weight, g/mol:	261.022642
ΔH_f, kcal/mol:	-63.82
Dipole, Da:	6.32
IP(EA), eV:	-9.15(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-[[(3S)-1,1-dioxothiolan-3-yl]amino]phenol

Drug info:

PubChemData

Smile

C1CS(=O)(=O)C[C@H]1N2CCC3=CC=CC=C3C2

DOS

IR

Vibrations