Geometry & MOs

Info

ID:

239322

PubChem CID:

93166308

Reduced:

ClSN2O4C28H31 (1)

Stoich.:

ABC2D4E28F31 (1)

Weight, g/mol:

480.148571

ΔHf, kcal/mol:

-106.58

Dipole, Da:

3.7

IP(EA), eV:

 -9.1(-0.47)

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-methoxy-N-(3-methoxypropyl)acetamide

Drug info:

PubChemData

Smile

COCCCN(CC(=O)N1CCC2=C([C@H]1COC3=CC=C(C=C3)Cl)C=CS2)C(=O)CC4=CC=CC=C4

DOS

IR

Vibrations