Geometry & MOs

Info

ID:

239938

PubChem CID:

93167210

Reduced:

SN2O4C29H34 (1)

Stoich.:

AB2C4D29E34 (1)

Weight, g/mol:

520.203193

ΔHf, kcal/mol:

-106.6

Dipole, Da:

3.09

IP(EA), eV:

 -8.61(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-ethyl-N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-1,3-benzodioxole-5-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations