Geometry & MOs

Info

ID:	304847
PubChem CID:	124766234
Reduced:	FO3N5C26H28 (1)
Stoich.:	AB3C5D26E28 (1)
Weight, g/mol:	316.142307
ΔH_f, kcal/mol:	-16.48
Dipole, Da:	8.32
IP(EA), eV:	-9.13(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1S,3R,3aR,6aS)-3,5-dimethyl-1-(2-methylphenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2C(=NN=N2)[C@H](C3=CC(=CC=C3)F)N(C[C@H]4CCCO4)CC5=CC=CO5

DOS

IR

Vibrations