Geometry & MOs

Info

ID:	392764
PubChem CID:	135017890
Reduced:	NSO5C24H25 (1)
Stoich.:	ABC5D24E25 (1)
Weight, g/mol:	306.183109
ΔH_f, kcal/mol:	-109.9
Dipole, Da:	5.16
IP(EA), eV:	-8.51(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-3-[(5E)-5-[(E)-3-methoxyprop-2-enylidene]-6a-methyl-3,3a,4,6-tetrahydro-2H-cyclopenta[b]furan-2-yl]-2-methylprop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C(C(=C4C5CC(C4=C32)C6C5OC(O6)(C)C)O)C

DOS

IR

Vibrations