Geometry & MOs

Info

ID:

304924

PubChem CID:

124766318

Reduced:

SN2O5C19H24 (1)

Stoich.:

AB2C5D19E24 (1)

Weight, g/mol:

467.187878

ΔHf, kcal/mol:

-211.41

Dipole, Da:

4.57

IP(EA), eV:

 -9.05(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@@H](C(=O)NC[C@H]1CCCO1)OC(=O)C[C@H]2C(=O)NC3=CC=CC=C3S2

DOS

IR

Vibrations