Geometry & MOs

Info

ID:

17339

PubChem CID:

493468

Reduced:

S2O4N5C27H31 (1)

Stoich.:

A2B4C5D27E31 (1)

Weight, g/mol:

553.181747

ΔHf, kcal/mol:

-93.94

Dipole, Da:

7.14

IP(EA), eV:

 -8.82(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3aS,6S,6aR)-1-[(2S)-1-[5-(dimethylamino)naphthalen-1-yl]sulfonylpyrrolidine-2-carbonyl]-6-methyl-4-(1,3-thiazol-2-yl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one

Drug info:

PubChemData

Smile

C[C@H]1[C@@H]2[C@H](CCN2C(=O)[C@@H]3CCCN3S(=O)(=O)C4=CC=CC5=C4C=CC=C5N(C)C)N(C1=O)C6=NC=CS6

DOS

IR

Vibrations