Geometry & MOs

Info

ID:	147341
PubChem CID:	53786997
Reduced:	SN3O9H39C49 (1)
Stoich.:	AB3C9D39E49 (1)
Weight, g/mol:	284.141245
ΔH_f, kcal/mol:	-122.49
Dipole, Da:	8.7
IP(EA), eV:	-8.9(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[5-(4-methoxyphenyl)penta-2,4-dien-2-yl]-2,2-dimethylfuran-3-one

Drug info:

PubChemData

Smile

CC(=O)OC1=C(C=C(C=C1)[C@H](C(=O)OC(C2=CC=CC=C2)C3=CC=CC=C3)ON=C(C4=CSC(=N4)NC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)C(=O)O)OC(=O)C

DOS

IR

Vibrations