Geometry & MOs

Info

ID:

304920

PubChem CID:

124766314

Reduced:

N3O4C24H35 (1)

Stoich.:

A3B4C24D35 (1)

Weight, g/mol:

448.092678

ΔHf, kcal/mol:

-176.99

Dipole, Da:

6.06

IP(EA), eV:

 -9.51(0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)N1[C@@H]([C@@]23C=C[C@@H](O2)[C@H]([C@H]3C1=O)C(=O)NC4CCCC4)C(=O)NC5CCCCC5

DOS

IR

Vibrations