Geometry & MOs

Info

ID:

239353

PubChem CID:

93166353

Reduced:

ClSN2O4C28H31 (1)

Stoich.:

ABC2D4E28F31 (1)

Weight, g/mol:

526.169306

ΔHf, kcal/mol:

-116.04

Dipole, Da:

7.11

IP(EA), eV:

 -9.0(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations