Geometry & MOs

Info

ID:	146112
PubChem CID:	53637955
Reduced:	SN3O3C6H7 (1)
Stoich.:	AB3C3D6E7 (1)
Weight, g/mol:	334.126382
ΔH_f, kcal/mol:	-30.55
Dipole, Da:	2.56
IP(EA), eV:	-9.94(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4-ethoxy-4-oxobutanoyl)peroxy-4-methylpentan-2-yl]oxy-2-oxoacetic acid

Drug info:

PubChemData

Smile

CC1=NN=C(S1)C(=NOC)C(=O)O

DOS

IR

Vibrations