Geometry & MOs

Info

ID:	45646
PubChem CID:	10515993
Reduced:	O2N3C14H25 (1)
Stoich.:	A2B3C14D25 (1)
Weight, g/mol:	268.040545
ΔH_f, kcal/mol:	-108.01
Dipole, Da:	7.79
IP(EA), eV:	-8.85(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methyl-5-oxo-2H-furan-3-yl) 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CCCCC[C@@H](C)NC(=O)OCCCC1=CN=CN1

DOS

IR

Vibrations