Geometry & MOs

Info

ID:	386056
PubChem CID:	134980651
Reduced:	OC5H8 (2)
Stoich.:	AB5C8 (2)
Weight, g/mol:	446.136553
ΔH_f, kcal/mol:	-84.33
Dipole, Da:	1.81
IP(EA), eV:	-9.85(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4a-O-benzyl 8a-O-ethyl (4aS,8aS)-4,7-dioxo-2-phenyl-8H-chromene-4a,8a-dicarboxylate

Drug info:

PubChemData

Smile

CC(=O)OCCC(=C)CCC=C

DOS

IR

Vibrations