Geometry & MOs

Info

ID:

239580

PubChem CID:

93166736

Reduced:

ClSN2O3C28H37 (1)

Stoich.:

ABC2D3E28F37 (1)

Weight, g/mol:

492.184956

ΔHf, kcal/mol:

-127.1

Dipole, Da:

4.11

IP(EA), eV:

 -8.78(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[(4R)-4-[(4-chloro-3-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methoxy-N-[(2R)-2-methylbutyl]acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations