Geometry & MOs

Info

ID:	189639
PubChem CID:	77884415
Reduced:	NSO2C21H37 (1)
Stoich.:	ABC2D21E37 (1)
Weight, g/mol:	388.152203
ΔH_f, kcal/mol:	-124.33
Dipole, Da:	3.44
IP(EA), eV:	-8.91(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-[6-(furan-2-yl)-8-oxo-4a,5,6,7-tetrahydroisochromen-5-yl]-2-methylpropanedioate

Drug info:

PubChemData

Smile

C1C(C(C(S1)CCCCCCC#N)C=CCCCCCCCCO)O

DOS

IR

Vibrations