Geometry & MOs

Info

ID:	228128
PubChem CID:	87563499
Reduced:	PS2C7O7H17 (1)
Stoich.:	AB2C7D7E17 (1)
Weight, g/mol:	146.13068
ΔH_f, kcal/mol:	-383.65
Dipole, Da:	3.0
IP(EA), eV:	-11.22(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

octan-2-one;hydrate

Drug info:

PubChemData

Smile

CC(C)S(=O)(=O)OP(=O)(C)OS(=O)(=O)C(C)C

DOS

IR

Vibrations