Geometry & MOs

Info

ID:

240346

PubChem CID:

93577818

Reduced:

ClO3N4H17C18 (1)

Stoich.:

AB3C4D17E18 (1)

Weight, g/mol:

520.206565

ΔHf, kcal/mol:

-57.61

Dipole, Da:

7.39

IP(EA), eV:

 -8.99(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6S)-6-tert-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Drug info:

PubChemData

Smile

CCC1([C@@H](C(=O)N(C(=O)[C@@H]1C#N)CC(=O)NC2=CC=CC=C2Cl)C#N)C

DOS

IR

Vibrations