Geometry & MOs

Info

ID:

304869

PubChem CID:

124766257

Reduced:

N2S2O4C17H22 (1)

Stoich.:

A2B2C4D17E22 (1)

Weight, g/mol:

382.1021

ΔHf, kcal/mol:

-146.29

Dipole, Da:

2.91

IP(EA), eV:

 -8.48(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (1S,3R,3aR,6aR)-5-methyl-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

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

DOS

IR

Vibrations