Geometry & MOs

Info

ID:

304826

PubChem CID:

124766213

Reduced:

N3O4C23H35 (1)

Stoich.:

A3B4C23D35 (1)

Weight, g/mol:

394.152872

ΔHf, kcal/mol:

-186.53

Dipole, Da:

3.68

IP(EA), eV:

 -9.68(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (1S,3R,3aR,6aS)-1-(2-methoxyphenyl)-3-methyl-4,6-dioxo-5-phenyl-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)NC4CCCCC4)C(=O)NC(C)(C)C

DOS

IR

Vibrations