Geometry & MOs

Info

ID:	446577
PubChem CID:	135276149
Reduced:	NS2O3C12H15 (1)
Stoich.:	AB2C3D12E15 (1)
Weight, g/mol:	297.103479
ΔH_f, kcal/mol:	-59.84
Dipole, Da:	7.05
IP(EA), eV:	-8.32(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[ethyl-[2-(2-hydroxyethylsulfanyl)ethyl]amino]-3-methylfuro[3,2-b]pyran-7-one

Drug info:

PubChemData

Smile

CC1=COC2=C1OC(=CC2=S)NCCSCCO

DOS

IR

Vibrations