Geometry & MOs

Info

ID:

304886

PubChem CID:

124766275

Reduced:

N3O4C21H29 (1)

Stoich.:

A3B4C21D29 (1)

Weight, g/mol:

394.136257

ΔHf, kcal/mol:

-167.58

Dipole, Da:

5.56

IP(EA), eV:

 -8.32(-0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (1S,3R,3aR,6aR)-1-(3-fluorophenyl)-5-methyl-3-(2-methylsulfanylethyl)-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=C(C=C3)N(C)C)C(=O)N(C2=O)CC)C(=O)OCC

DOS

IR

Vibrations