Geometry & MOs

Info

ID:

304787

PubChem CID:

124766173

Reduced:

SO4N7C35H41 (1)

Stoich.:

AB4C7D35E41 (1)

Weight, g/mol:

384.114378

ΔHf, kcal/mol:

-50.86

Dipole, Da:

10.86

IP(EA), eV:

 -8.97(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)N([C@@H]([C@H]3CNC4=CC=CC=C34)C(=O)NC5CCCC5)C(=O)CN6C7=CC=CC=C7N=N6

DOS

IR

Vibrations