Geometry & MOs

Info

ID:

305191

PubChem CID:

124767424

Reduced:

N2S2O5H14C17 (1)

Stoich.:

A2B2C5D14E17 (1)

Weight, g/mol:

453.118084

ΔHf, kcal/mol:

-165.57

Dipole, Da:

3.34

IP(EA), eV:

 -9.27(-1.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,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=CC=C(C=C1)[C@H]2[C@H]3[C@@H](C(=O)N(C3=O)CC(=O)O)SC4=C2SC(=O)N4

DOS

IR

Vibrations