Geometry & MOs

Info

ID:	304903
PubChem CID:	124766294
Reduced:	FN2O4C17H19 (1)
Stoich.:	AB2C4D17E19 (1)
Weight, g/mol:	334.132885
ΔH_f, kcal/mol:	-204.46
Dipole, Da:	2.73
IP(EA), eV:	-9.68(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations