Geometry & MOs

Info

ID:

305192

PubChem CID:

124767457

Reduced:

S2N3O3C23H23 (1)

Stoich.:

A2B3C3D23E23 (1)

Weight, g/mol:

453.118084

ΔHf, kcal/mol:

9.32

Dipole, Da:

8.34

IP(EA), eV:

 -8.44(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,3aS,6aS)-3,5-diphenyl-2-[(5S)-3,4,4-trimethyl-2-sulfanylidene-1,3-thiazolidin-5-yl]-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione

Drug info:

PubChemData

Smile

CC1([C@H](SC(=S)N1C)N2[C@H]([C@H]3[C@H](O2)C(=O)N(C3=O)C4=CC=CC=C4)C5=CC=CC=C5)C

DOS

IR

Vibrations