Geometry & MOs

Info

ID:

239469

PubChem CID:

93166538

Reduced:

SCl2N2O3H24C26 (1)

Stoich.:

AB2C2D3E24F26 (1)

Weight, g/mol:

528.16497

ΔHf, kcal/mol:

-39.62

Dipole, Da:

6.0

IP(EA), eV:

 -8.81(-0.53)

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]-4-fluoro-N-(2-methylpropyl)benzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations