Geometry & MOs

Info

ID:	180293
PubChem CID:	76609457
Reduced:	FO2N3H12C15 (1)
Stoich.:	AB2C3D12E15 (1)
Weight, g/mol:	489.251523
ΔH_f, kcal/mol:	-55.48
Dipole, Da:	2.48
IP(EA), eV:	-8.47(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

oxiran-2-ylmethyl 2-[2-[3-[(1,3-dioxoisoindol-2-yl)methyl]-4-ethenylcyclopentyl]ethenyl]-4-ethenyl-1-methylcyclopentane-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC2=NC(=O)N(C(=O)C2C=C1F)C3=CC=C(C=C3)N

DOS

IR

Vibrations