Geometry & MOs

Info

ID:

239407

PubChem CID:

93166440

Reduced:

ClSN2O3C27H35 (1)

Stoich.:

ABC2D3E27F35 (1)

Weight, g/mol:

524.190042

ΔHf, kcal/mol:

-110.64

Dipole, Da:

3.56

IP(EA), eV:

 -9.21(-0.44)

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]-N-[(2R)-2-methylbutyl]-2-phenylacetamide

Drug info:

PubChemData

Smile

CC[C@H](C)CN(CC(=O)N1CCC2=C([C@H]1COC3=CC=C(C=C3)Cl)C=CS2)C(=O)C4CCCC4

DOS

IR

Vibrations