Geometry & MOs

Info

ID:	312462
PubChem CID:	126605453
Reduced:	SO2N6C22H28 (1)
Stoich.:	AB2C6D22E28 (1)
Weight, g/mol:	316.188589
ΔH_f, kcal/mol:	11.32
Dipole, Da:	5.05
IP(EA), eV:	-8.46(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-oxo-5-[2-(2,2,4,4-tetramethylpentanoyloxy)ethoxy]pentanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)NCCCN1C2=NC=NC(=C2N=C1SC3=CC4=C(C=C3C=C)OCCO4)N

DOS

IR

Vibrations