Geometry & MOs

Info

ID:

304772

PubChem CID:

124766157

Reduced:

N2O4C23H24 (1)

Stoich.:

A2B4C23D24 (1)

Weight, g/mol:

414.124943

ΔHf, kcal/mol:

-135.12

Dipole, Da:

2.58

IP(EA), eV:

 -8.97(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@@H]2[C@@H]3[C@@H](C(=O)N(C3=O)C4=CC=C(C=C4)C)[C@](N2)(C)C(=O)OC

DOS

IR

Vibrations