Geometry & MOs

Info

ID:	43097
PubChem CID:	10318474
Reduced:	SO3N4H18C20 (1)
Stoich.:	AB3C4D18E20 (1)
Weight, g/mol:	394.199153
ΔH_f, kcal/mol:	-21.24
Dipole, Da:	3.11
IP(EA), eV:	-8.79(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-[[(8S,9S)-8-ethenyl-1,4-dioxaspiro[4.4]nonan-9-yl]methyl]-2-[(E)-4-oxobut-2-enyl]propanedioate

Drug info:

PubChemData

Smile

C1COC2=C1C=C(C=C2)CNC(=O)C3=CC(=NC=N3)C(=O)NCC4=CC=CS4

DOS

IR

Vibrations