Geometry & MOs

Info

ID:	406826
PubChem CID:	135078727
Reduced:	ClSN2O2H11C13 (1)
Stoich.:	ABC2D2E11F13 (1)
Weight, g/mol:	158.13068
ΔH_f, kcal/mol:	-9.98
Dipole, Da:	4.8
IP(EA), eV:	-9.76(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R)-6-hydroxy-7-methyloctan-4-one

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)S(=O)(=O)/N=C/C2=CC=C(C=C2)Cl

DOS

IR

Vibrations