Geometry & MOs

Info

ID:

239368

PubChem CID:

93166374

Reduced:

ClSN2O5C26H27 (1)

Stoich.:

ABC2D5E26F27 (1)

Weight, g/mol:

514.132921

ΔHf, kcal/mol:

-130.69

Dipole, Da:

8.56

IP(EA), eV:

 -9.24(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[(4S)-4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-[[(2S)-oxolan-2-yl]methyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

C1C[C@@H](OC1)CN(CC(=O)N2CCC3=C([C@@H]2COC4=CC=C(C=C4)Cl)C=CS3)C(=O)C5=CC=CO5

DOS

IR

Vibrations