Geometry & MOs

Info

ID:	239333
PubChem CID:	93166321
Reduced:	ClN2S2O3C24H25 (1)
Stoich.:	AB2C2D3E24F25 (1)
Weight, g/mol:	512.153656
ΔH_f, kcal/mol:	-58.03
Dipole, Da:	6.51
IP(EA), eV:	-8.9(-0.45)
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]-4-methoxy-N-propylbenzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations