Geometry & MOs

Info

ID:

304702

PubChem CID:

124766073

Reduced:

N3O4C25H35 (1)

Stoich.:

A3B4C25D35 (1)

Weight, g/mol:

388.089306

ΔHf, kcal/mol:

-143.6

Dipole, Da:

7.98

IP(EA), eV:

 -9.5(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)[C@@H]2[C@H]3C=C[C@]4([C@H]2C(=O)N([C@@H]4C(=O)NC5CCCCC5)C6CC6)O3

DOS

IR

Vibrations