Geometry & MOs

Info

ID:	435969
PubChem CID:	135193078
Reduced:	OSN3C24H31 (1)
Stoich.:	ABC3D24E31 (1)
Weight, g/mol:	256.073559
ΔH_f, kcal/mol:	85.47
Dipole, Da:	0.89
IP(EA), eV:	-8.15(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]oxy-2-benzofuran-1,3-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SNCCCCC(CO)N2C3C(C=CC=N3)C4=CCCC=C42

DOS

IR

Vibrations