Geometry & MOs

Info

ID:

239540

PubChem CID:

93166661

Reduced:

ClN2S2O3C25H27 (1)

Stoich.:

AB2C2D3E25F27 (1)

Weight, g/mol:

502.115163

ΔHf, kcal/mol:

-67.47

Dipole, Da:

6.75

IP(EA), eV:

 -8.9(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[(4S)-4-[(4-chloro-3-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCCN(CC(=O)N1CCC2=C([C@@H]1COC3=CC(=C(C=C3)Cl)C)C=CS2)C(=O)C4=CC=CS4

DOS

IR

Vibrations