Geometry & MOs

Info

ID:	147313
PubChem CID:	53786969
Reduced:	SN6C20H28 (1)
Stoich.:	AB6C20D28 (1)
Weight, g/mol:	268.094688
ΔH_f, kcal/mol:	102.39
Dipole, Da:	6.77
IP(EA), eV:	-8.1(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-di(butanoyl)-5,6-dihydroxypyran-4-one

Drug info:

PubChemData

Smile

CCN(CCN(C)C)C1=CC=C(C=C1)NNC2=NC(NS2)C3=CC=CC=C3

DOS

IR

Vibrations