Geometry & MOs

Info

ID:

239325

PubChem CID:

93166311

Reduced:

ClSN2O4C28H31 (1)

Stoich.:

ABC2D4E28F31 (1)

Weight, g/mol:

526.169306

ΔHf, kcal/mol:

-112.58

Dipole, Da:

4.41

IP(EA), eV:

 -9.17(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)N(CCCOC)CC(=O)N2CCC3=C([C@@H]2COC4=CC=C(C=C4)Cl)C=CS3

DOS

IR

Vibrations