Geometry & MOs

Info

ID:

239369

PubChem CID:

93166375

Reduced:

ClSN2O5C26H27 (1)

Stoich.:

ABC2D5E26F27 (1)

Weight, g/mol:

490.169306

ΔHf, kcal/mol:

-125.12

Dipole, Da:

3.49

IP(EA), eV:

 -9.19(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

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