Geometry & MOs

Info

ID:

304883

PubChem CID:

124766272

Reduced:

SN2O4C20H26 (1)

Stoich.:

AB2C4D20E26 (1)

Weight, g/mol:

390.161329

ΔHf, kcal/mol:

-142.11

Dipole, Da:

2.14

IP(EA), eV:

 -8.59(-0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (1S,3R,3aR,6aS)-5-methyl-1-(3-methylphenyl)-3-(2-methylsulfanylethyl)-4,6-dioxo-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=CC(=C3)C)C(=O)N(C2=O)C)CCSC

DOS

IR

Vibrations