Geometry & MOs

Info

ID:

304773

PubChem CID:

124766158

Reduced:

SN2O5C21H22 (1)

Stoich.:

AB2C5D21E22 (1)

Weight, g/mol:

414.124943

ΔHf, kcal/mol:

-141.51

Dipole, Da:

2.97

IP(EA), eV:

 -8.59(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (1S,3R,3aR,6aS)-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

CCOC(=O)[C@]1([C@H]2[C@H]([C@H](N1)C3=CC=CS3)C(=O)N(C2=O)C4=CC=C(C=C4)OC)C

DOS

IR

Vibrations