Geometry & MOs

Info

ID:

239551

PubChem CID:

93166677

Reduced:

ClFSN2O3C27H28 (1)

Stoich.:

ABCD2E3F27G28 (1)

Weight, g/mol:

510.174392

ΔHf, kcal/mol:

-120.58

Dipole, Da:

6.52

IP(EA), eV:

 -8.88(-0.42)

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-phenyl-N-propylacetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations