Geometry & MOs

Info

ID:

239196

PubChem CID:

93166122

Reduced:

ClSN2O4C28H31 (1)

Stoich.:

ABC2D4E28F31 (1)

Weight, g/mol:

488.117271

ΔHf, kcal/mol:

-102.32

Dipole, Da:

2.78

IP(EA), eV:

 -9.09(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[(4R)-4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methoxyethyl)furan-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)CN(CC(=O)N1CCC2=C([C@H]1COC3=CC=C(C=C3)Cl)C=CS2)C(=O)C4=CC=CC=C4OC

DOS

IR

Vibrations