Geometry & MOs

Info

ID:

240399

PubChem CID:

93578199

Reduced:

N2S2O5C24H32 (1)

Stoich.:

A2B2C5D24E32 (1)

Weight, g/mol:

492.175264

ΔHf, kcal/mol:

-201.28

Dipole, Da:

6.77

IP(EA), eV:

 -8.4(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6S)-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CCC2=C(C1)SC(=C2C(=O)N[C@@H]3CCS(=O)(=O)C3)NC[C@@H](COC4=CC=CC(=C4)C)O

DOS

IR

Vibrations