Geometry & MOs

Info

ID:

239542

PubChem CID:

93166663

Reduced:

ClSN2O4C28H31 (1)

Stoich.:

ABC2D4E28F31 (1)

Weight, g/mol:

476.190042

ΔHf, kcal/mol:

-117.12

Dipole, Da:

8.21

IP(EA), eV:

 -9.07(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[(4S)-4-[(4-chloro-3-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-3-methyl-N-propylbutanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations