Geometry & MOs

Info

ID:

239509

PubChem CID:

93166606

Reduced:

ClSN2O3C26H35 (1)

Stoich.:

ABC2D3E26F35 (1)

Weight, g/mol:

510.174392

ΔHf, kcal/mol:

-130.43

Dipole, Da:

4.13

IP(EA), eV:

 -8.75(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2R)-butan-2-yl]-N-[2-[(4R)-4-[(4-chloro-3-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations