Geometry & MOs

Info

ID:	304743
PubChem CID:	124766119
Reduced:	FN2O4H21C22 (1)
Stoich.:	AB2C4D21E22 (1)
Weight, g/mol:	396.148535
ΔH_f, kcal/mol:	-172.32
Dipole, Da:	4.69
IP(EA), eV:	-9.21(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (1S,3R,3aR,6aR)-1-(2-fluorophenyl)-3-methyl-4,6-dioxo-5-phenyl-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=CC=C3F)C(=O)N(C2=O)C4=CC=CC=C4)C

DOS

IR

Vibrations