Geometry & MOs

Info

ID:

240379

PubChem CID:

93578038

Reduced:

ClNSO4C21H26 (1)

Stoich.:

ABCD4E21F26 (1)

Weight, g/mol:

492.175264

ΔHf, kcal/mol:

-144.21

Dipole, Da:

6.14

IP(EA), eV:

 -8.89(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OC[C@@H](CN(CC2=CC=C(C=C2)Cl)[C@@H]3CCS(=O)(=O)C3)O

DOS

IR

Vibrations