Geometry & MOs

Info

ID:	150165
PubChem CID:	53789852
Reduced:	S6N7H19O19C22 (1)
Stoich.:	A6B7C19D19E22 (1)
Weight, g/mol:	276.136159
ΔH_f, kcal/mol:	-637.21
Dipole, Da:	12.97
IP(EA), eV:	-9.67(-3.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-1-phenoxyoctane-2,4,7-trione

Drug info:

PubChemData

Smile

C1=C2C=C(C(=NNC3=C(C=C(C(=C3)N)S(=O)(=O)O)S(=O)(=O)O)C(=O)C2=C(C(=C1S(=O)(=O)O)N=NC4=C(C=C(C(=C4)N)S(=O)(=O)O)S(=O)(=O)O)N)S(=O)(=O)O

DOS

IR

Vibrations