Geometry & MOs

Info

ID:

239250

PubChem CID:

93166193

Reduced:

SCl2N2O3C26H26 (1)

Stoich.:

AB2C2D3E26F26 (1)

Weight, g/mol:

514.14932

ΔHf, kcal/mol:

-76.01

Dipole, Da:

3.15

IP(EA), eV:

 -9.03(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2S)-butan-2-yl]-N-[2-[(4R)-4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-4-fluorobenzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations