Geometry & MOs

Info

ID:	304800
PubChem CID:	124766186
Reduced:	FN2O4C19H23 (1)
Stoich.:	AB2C4D19E23 (1)
Weight, g/mol:	362.164185
ΔH_f, kcal/mol:	-195.92
Dipole, Da:	1.76
IP(EA), eV:	-9.78(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations