Geometry & MOs

Info

ID:

240398

PubChem CID:

93578194

Reduced:

SN2O4C23H32 (1)

Stoich.:

AB2C4D23E32 (1)

Weight, g/mol:

492.175264

ΔHf, kcal/mol:

-134.11

Dipole, Da:

7.12

IP(EA), eV:

 -8.2(0.32)

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-(3-methylphenoxy)propyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations