Geometry & MOs

Info

ID:

304763

PubChem CID:

124766147

Reduced:

N3O4C24H29 (1)

Stoich.:

A3B4C24D29 (1)

Weight, g/mol:

362.164185

ΔHf, kcal/mol:

-105.92

Dipole, Da:

6.34

IP(EA), eV:

 -9.73(-0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)[C@@H]1[C@@]23C=C[C@@H](O2)[C@H]([C@H]3C(=O)N1CC=C)C(=O)NCC4=CC=CC=C4

DOS

IR

Vibrations