Geometry & MOs

Info

ID:

239477

PubChem CID:

93166550

Reduced:

ClSN2O3C25H31 (1)

Stoich.:

ABC2D3E25F31 (1)

Weight, g/mol:

528.16497

ΔHf, kcal/mol:

-93.55

Dipole, Da:

4.69

IP(EA), eV:

 -9.09(-0.5)

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-fluoro-N-(2-methylpropyl)benzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC[C@H]2C3=C(CCN2C(=O)CN(CC(C)C)C(=O)C4CC4)SC=C3)Cl

DOS

IR

Vibrations