Geometry & MOs

Info

ID:

239566

PubChem CID:

93166705

Reduced:

ClSN2O4C24H31 (1)

Stoich.:

ABC2D4E24F31 (1)

Weight, g/mol:

478.169306

ΔHf, kcal/mol:

-146.74

Dipole, Da:

6.56

IP(EA), eV:

 -8.72(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations