Geometry & MOs

Info

ID:	304974
PubChem CID:	124766378
Reduced:	N2O5C17H20 (1)
Stoich.:	A2B5C17D20 (1)
Weight, g/mol:	334.132885
ΔH_f, kcal/mol:	-168.94
Dipole, Da:	0.91
IP(EA), eV:	-8.91(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@]1([C@H]2[C@H]([C@H](N1)C3=CC=C(C=C3)OC)C(=O)N(C2=O)C)C(=O)OC

DOS

IR

Vibrations