Geometry & MOs

Info

ID:	239449
PubChem CID:	93166508
Reduced:	ClSN2O4H23C24 (1)
Stoich.:	ABC2D4E23F24 (1)
Weight, g/mol:	446.143092
ΔH_f, kcal/mol:	-57.5
Dipole, Da:	2.49
IP(EA), eV:	-9.12(-0.69)
Spin(S_z, 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]-2-methyl-N-prop-2-enylpropanamide

Drug info:

PubChemData

Smile

C=CCN(CC(=O)N1CCC2=C([C@H]1COC3=CC=C(C=C3)Cl)C=CS2)C(=O)C4=CC=CO4

DOS

IR

Vibrations