Geometry & MOs

Info

ID:

304636

PubChem CID:

124766004

Reduced:

SN2O6C26H28 (1)

Stoich.:

AB2C6D26E28 (1)

Weight, g/mol:

435.215806

ΔHf, kcal/mol:

-177.12

Dipole, Da:

3.42

IP(EA), eV:

 -8.52(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1[C@@H]2[C@H]3[C@@H](C(=O)N(C3=O)C4=CC5=C(C=C4)OCCO5)[C@](N2)(CCSC)C(=O)OC

DOS

IR

Vibrations